CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N Synonym: benzaldehyde, o-hydroxy, 2-hydroxy-benzaldehyde, salicyladehyde, salicylic aldehyde, benzaldehyde, 2-hydroxy, 2-formylphenol, salicylal, o-formylphenol, o-hydroxybenzaldehyde, salicylaldehyde PubChem CID: 6998 ChEBI: CHEBI:16008 IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O

CAS: 533-75-5 Molecular Formula: C₇H₆O₂ Molecular Weight (g/mol): 122.12 MDL Number: MFCD00004158 InChI Key: MDYOLVRUBBJPFM-UHFFFAOYSA-N Synonym: tropomyosins, ccris 6609, unii-7l6dl16p1t, 2-hydroxy-2,4,6-cycloheptatrienone, 2-hydroxy-2,4,6-cycloheptatrien-1-one, 2-hydroxytropone, 2,4,6-cycloheptatrien-1-one, 2-hydroxy, 2-hydroxycyclohepta-2,4,6-trienone, purpurocatechol, tropolone PubChem CID: 10789 ChEBI: CHEBI:79966 IUPAC Name: 2-hydroxycyclohepta-2,4,6-trien-1-one SMILES: C1=CC=C(C(=O)C=C1)O

CAS: 4940-11-8 Molecular Formula: C₇H₈O₃ Molecular Weight (g/mol): 140.14

CAS: 25152-84-5 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00007007 InChI Key: JZQKTMZYLHNFPL-BLHCBFLLSA-N Synonym: ccris 4029, 2-trans-4-trans-decadienal, 2,4-decadienal, e,e, 2e,4e-2,4-decadienal, 2e,4e-decadienal, 2,4-decadienal, 2e,4e, trans,trans-2,4-decadienal, e,e-2,4-decadienal, 2,4-decadienal, 2e,4e-deca-2,4-dienal PubChem CID: 5283349 IUPAC Name: (2E,4E)-deca-2,4-dienal SMILES: CCCCCC=CC=CC=O

CAS: 75-07-0 Molecular Formula: C₂H₄O Molecular Weight (g/mol): 44.04 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: aldehyde acetique, octowy aldehyd, aldeide acetica, acetic ethanol, aldehyde, acetylaldehyde, acetaldehyd, ethyl aldehyde, acetic aldehyde, ethanal PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 1121-60-4 Molecular Formula: C₆H₅NO Molecular Weight (g/mol): 107.11 MDL Number: MFCD00006290 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Synonym: 2-pyridylaldehyde, picolinic aldehyde, 2-pyridaldehyde, 2-picolinaldehyde, picolinal, pyridine-2-aldehyde, 2-formylpyridine, pyridine-2-carboxaldehyde, picolinaldehyde, 2-pyridinecarboxaldehyde PubChem CID: 14273 ChEBI: CHEBI:73012 IUPAC Name: pyridine-2-carbaldehyde SMILES: C1=CC=NC(=C1)C=O

CAS: 620-02-0 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 2-formyl-5-methylfuran, 2-furaldehyde, 5-methyl, 5-methylfurfuraldehyde, 5-methyl-2-furancarboxaldehyde, 5-methylfuran-2-al, 2-furancarboxaldehyde, 5-methyl, 5-methyl-2-furfural, 5-methyl furfural, 5-methyl-2-furaldehyde, 5-methylfurfural PubChem CID: 12097 ChEBI: CHEBI:2091 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O

CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: 2-furfural, 2-furancarbonal, 2-furanaldehyde, fural, furfuraldehyde, 2-formylfuran, furaldehyde, 2-furancarboxaldehyde, 2-furaldehyde, furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1

CAS: 5470-96-2 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00075032 InChI Key: WPYJKGWLDJECQD-UHFFFAOYSA-N Synonym: pubchem2277, zlchem 599, quinoline-2-aldehyde, quinoline aldehyde, quinolinecarboxaldehyde, quinaldaldehyde, 2-formylquinoline, 2-quinolinecarbaldehyde, quinoline-2-carboxaldehyde, 2-quinolinecarboxaldehyde PubChem CID: 79619 IUPAC Name: quinoline-2-carbaldehyde SMILES: O=CC1=CC=C2C=CC=CC2=N1

CAS: 14901-07-6 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.30 MDL Number: MFCD00001549 InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonym: beta-e-ionone, e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one, unii-a7nrr1hlh6, 4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one, 3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one, .beta.-ionone, 4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one, e-beta-ionone, trans-beta-ionone, beta-ionone PubChem CID: 638014 ChEBI: CHEBI:32325 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1=C(C)CCCC1(C)C

CAS: 141-79-7 Molecular Formula: C₆H₁₀O Molecular Weight (g/mol): 98.14 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: isopropylidene acetone, 3-isohexen-2-one, mesityloxyde, mesityloxid, methyl isobutenyl ketone, isobutenyl methyl ketone, isopropylideneacetone, 3-penten-2-one, 4-methyl, 4-methyl-3-penten-2-one, mesityl oxide PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C

CAS: 620-02-0 Molecular Formula: C₆H₆O₂ Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 2-formyl-5-methylfuran, 2-furaldehyde, 5-methyl, 5-methylfurfuraldehyde, 5-methyl-2-furancarboxaldehyde, 5-methylfuran-2-al, 2-furancarboxaldehyde, 5-methyl, 5-methyl-2-furfural, 5-methyl furfural, 5-methyl-2-furaldehyde, 5-methylfurfural PubChem CID: 12097 ChEBI: CHEBI:2091 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O

CAS: 765-70-8 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 MDL Number: MFCD00001417 InChI Key: OACYKCIZDVVNJL-UHFFFAOYSA-N Synonym: methyl-cyclopentenolone, maple lactone mcp, 3-methyl-1,2-cyclopentanedione maple lactone, benzil-related compound, 45, kentonarome, methylcyclopentenolone natural, fema no. 2700, methylcyclopentenolone diketo form, 1,2-cyclopentanedione, 3-methyl, 3-methyl-1,2-cyclopentanedione PubChem CID: 61209 IUPAC Name: 3-methylcyclopentane-1,2-dione SMILES: CC1CCC(=O)C1=O

CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: diphenyldiketon, glyoxal, diphenyl, diphenylethane-1,2-dione, 1,2-diphenylethanedione, ethanedione, diphenyl, bibenzoyl, diphenylglyoxal, dibenzoyl, diphenylethanedione, benzil PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

CAS: 583-60-8 InChI Key: LFSAPCRASZRSKS-UHFFFAOYSA-N Synonym: 2-methyl cyclohexanone, 2-methyl-cyclohexanon, sexton b, alpha-methylcyclohexanone, methylanon, 2-methyl-1-cyclohexanone, 2-metilcicloesanone, cyclohexanone, 2-methyl, o-methylcyclohexanone, 2-methylcyclohexanone PubChem CID: 11419 IUPAC Name: 2-methylcyclohexan-1-one SMILES: CC1CCCCC1=O

CAS: 590-86-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007014 InChI Key: YGHRJJRRZDOVPD-UHFFFAOYSA-N Synonym: isovaleric aldehyde, beta-methylbutanal, isopentanal, butanal, 3-methyl, isoamylaldehyde, isovalerylaldehyde, isovaleral, isopentaldehyde, 3-methylbutyraldehyde, isovaleraldehyde PubChem CID: 11552 ChEBI: CHEBI:16638 IUPAC Name: 3-methylbutanal SMILES: CC(C)CC=O

CAS: 6728-26-3 Molecular Formula: C₆H₁₀O Molecular Weight (g/mol): 98.14 MDL Number: MFCD00007008 InChI Key: MBDOYVRWFFCFHM-SNAWJCMRSA-N Synonym: 2-hexenal, e, hex-2-en-1-al, hexylenic aldehyde, beta-propyl acrolein, 2-trans-hexenal, e-hex-2-enal, e-2-hexenal, leaf aldehyde, 2-hexenal, trans-2-hexenal PubChem CID: 5281168 ChEBI: CHEBI:28913 IUPAC Name: (E)-hex-2-enal SMILES: CCCC=CC=O

CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: zlchem 344, ethanone, 1-2-fluoro-4-methoxyphenyl, 2-fluoro-4-methoxy-acetophenone, 2'-fluor-4'-methoxyacetophenone, 1-acetyl-2-fluoro-4-methoxybenzene, 4-acetyl-3-fluoroanisole, 1-2-fluoro-4-methoxyphenyl ethan-1-one, 1-2-fluoro-4-methoxyphenyl ethanone, 2-fluoro-4-methoxyacetophenone, 2'-fluoro-4'-methoxyacetophenone PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethylhydrogenmalonate, 3-ethoxy-3-oxo-propanoic acid, 2-ethoxycarbonyl acetic acid, ethoxycarbonyl acetic acid, malonic acid monoethyl ester, monoethyl hydrogen malonate, mono-ethyl malonate, monoethyl malonic acid, monoethyl malonate, ethyl hydrogen malonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

CAS: 94-67-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00002120 InChI Key: GFCNBJDXQMZOOC-WAYWQWQTSA-N Synonym: salicylideneaminoalcohol, 2-1e-hydroxyimino methyl phenol, orihzizptztncu-vmpitwqzsa-n, orihzizptztncu-uhfffaoysa-n, e-2-hydroxybenzaldehyde oxime, 6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one, 2-hydroxyimino methyl phenol, salicylaldehyde oxime, 2-hydroxybenzaldehyde oxime, salicylaldoxime PubChem CID: 6740756 IUPAC Name: 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one SMILES: ON\C=C1\C=CC=CC1=O

CAS: 4949-44-4 Molecular Formula: C₇H₁₂O₃ Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethylpropanylacetate, propionylacetic acid ethyl ester, 3-oxovaleric acid ethyl ester, ethyl 3-ketopentanoate, 3-oxo-pentanoic acid ethyl ester, 3-oxopentanoic acid ethyl ester, pentanoic acid, 3-oxo-, ethyl ester, ethyl 3-oxo-n-valerate, ethyl 3-oxovalerate, ethyl propionylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate, stab. with potassium carbonate, tert-butyl 2-tert-butoxycarbonyl acetate, di tert-butyl malonate, 1,3-di-tert-butyl propanedioate, unii-7e9xwt9380, di-t-butyl malonate, di-t-butylmalonate, propanedioic acid, bis 1,1-dimethylethyl ester, malonic acid di-tert-butyl ester, di-tert-butyl malonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C

CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00007021 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: propanal, phenyl, 3-phenylpropyl aldehyde, 3-phenylpropylaldehyde, 3-phenyl-1-propanal, benzylacetaldehyde, dihydrocinnamaldehyde, hydrocinnamic aldehyde, hydrocinnamaldehyde, 3-phenylpropionaldehyde, benzenepropanal PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O

CAS: 107-22-2 Molecular Formula: C2H2O2 Molecular Weight (g/mol): 58.036 MDL Number: MFCD00006957 InChI Key: LEQAOMBKQFMDFZ-UHFFFAOYSA-N Synonym: aerotex glyoxal 40, diformyl, diformal, biformyl, biformal, glyoxylaldehyde, 1,2-ethanedione, oxalaldehyde, ethanedial, glyoxal PubChem CID: 7860 ChEBI: CHEBI:34779 IUPAC Name: oxaldehyde SMILES: C(=O)C=O

CAS: 175276-49-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00203864 InChI Key: NEDLMVCFWFSFNJ-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylicacid,4-formyl-1,2,5-trimethyl-,methyl ester, 1h-pyrrole-3-carboxylicacid, 4-formyl-1,2,5-trimethyl-, methyl ester, methyl 4-formyl-1,2,5-trimethyl-1h-pyrrole-3-carboxylate PubChem CID: 2776538 IUPAC Name: methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate SMILES: CC1=C(C(=C(N1C)C)C(=O)OC)C=O

CAS: 40188-45-2 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.26 MDL Number: MFCD00798556 InChI Key: FGWZEOPEZISTTR-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl butanamid, acebutolol impurity c, 5'-butyramido-2'-hydroxyacetophenone, butanamide, n-3-acetyl-4-hydroxyphenyl, 3'-acetyl-4'-hydroxybutyranilide, unii-14qjb65r4v, ac-hophe-oh, n-3-acetyl-4-hydroxyphenyl butyramide, n-3-acetyl-4-hydroxyphenyl butanamide, 2-acetyl-4-butyramidophenol PubChem CID: 736331 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)butanamide SMILES: CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O

CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethylhexyne-2,5-diol, unii-22rr53u71w, tetramethyl-2-butynediol, olfine y, 3-hexyne-2,5-diol, 2,5-dimethyl, acetylenepinacol, tetramethylbutynediol, kemitracin-50, dimethylhexynediol, 2,5-dimethyl-3-hexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O