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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (932)
Flavonoids (926)
Linear 1 3-diarylpropanoids (801)
Coumarins and derivatives (713)
Depsides and depsidones (520)
Phenylpropanoic acids (347)
Isoflavonoids (220)
Cinnamaldehydes (131)
Stilbenes (111)
Macrolide lactams (93)
Anthracyclines (89)
Macrolides and analogues (74)
Tetracyclines (63)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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46 – 60 of 4,444 results
46

trans-o-Coumaric Acid 98.0+%, TCI America™

CAS: 614-60-8 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004379 InChI Key: PMOWTIHVNWZYFI-AATRIKPKSA-N Synonym: 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid PubChem CID: 637540 ChEBI: CHEBI:18125 IUPAC Name: (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1O

PubChem CID 637540
CAS 614-60-8
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:18125
MDL Number MFCD00004379
SMILES OC(=O)\C=C\C1=CC=CC=C1O
Synonym 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid
IUPAC Name (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
InChI Key PMOWTIHVNWZYFI-AATRIKPKSA-N
Molecular Formula C9H8O3
47

Naphthalene-1,4,5,8-tetracarboxylic acid dianhydride, 97%

CAS: 81-30-1 Molecular Formula: C14H4O6 Molecular Weight (g/mol): 268.18 MDL Number: MFCD00006915 InChI Key: YTVNOVQHSGMMOV-UHFFFAOYSA-N Synonym: 1,4,5,8-naphthalenetetracarboxylic dianhydride,ntcda,naphthalenetetracarboxylic dianhydride,isochromeno 6,5,4-def isochromene-1,3,6,8-tetraone,ntda,unii-l56xqd1v6y,2,7-dioxapyrene-1,3,6,8-tetrone,naphthalene-1,8:4,5-tetracarboxylic dianhydride,1,8:4,5-naphthalenetetracarboxylic dianhydride,naphthalene-1,4,5,8-tetracarboxylic dianhydride PubChem CID: 6678 SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O

PubChem CID 6678
CAS 81-30-1
Molecular Weight (g/mol) 268.18
MDL Number MFCD00006915
SMILES C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O
Synonym 1,4,5,8-naphthalenetetracarboxylic dianhydride,ntcda,naphthalenetetracarboxylic dianhydride,isochromeno 6,5,4-def isochromene-1,3,6,8-tetraone,ntda,unii-l56xqd1v6y,2,7-dioxapyrene-1,3,6,8-tetrone,naphthalene-1,8:4,5-tetracarboxylic dianhydride,1,8:4,5-naphthalenetetracarboxylic dianhydride,naphthalene-1,4,5,8-tetracarboxylic dianhydride
InChI Key YTVNOVQHSGMMOV-UHFFFAOYSA-N
Molecular Formula C14H4O6
48

Benzoin 98.0+%, TCI America™

CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethan-1-one SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 8400
CAS 119-53-9
Molecular Weight (g/mol) 212.25
ChEBI CHEBI:17682
MDL Number MFCD00004496
SMILES OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone
IUPAC Name 2-hydroxy-1,2-diphenylethan-1-one
InChI Key ISAOCJYIOMOJEB-UHFFFAOYNA-N
Molecular Formula C14H12O2
49
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Chalcone, 97%

CAS: 94-41-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003082 InChI Key: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonym: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone PubChem CID: 637760 ChEBI: CHEBI:48965 SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 637760
CAS 94-41-7
Molecular Weight (g/mol) 208.26
ChEBI CHEBI:48965
MDL Number MFCD00003082
SMILES O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
Synonym chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone
InChI Key DQFBYFPFKXHELB-VAWYXSNFSA-N
Molecular Formula C15H12O
50

Cinnamic Aldehyde, MP Biomedicals™

CAS: 104-55-2 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (E)-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=CC=O

PubChem CID 637511
CAS 104-55-2
Molecular Weight (g/mol) 132.162
ChEBI CHEBI:16731
SMILES C1=CC=C(C=C1)C=CC=O
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
IUPAC Name (E)-3-phenylprop-2-enal
InChI Key KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Molecular Formula C9H8O
51
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4-Fluorocinnamic acid, 99%

CAS: 459-32-5 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00004395 InChI Key: ISMMYAZSUSYVQG-ZZXKWVIFSA-N Synonym: 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e PubChem CID: 1530234 IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)F

PubChem CID 1530234
CAS 459-32-5
Molecular Weight (g/mol) 166.15
MDL Number MFCD00004395
SMILES C1=CC(=CC=C1C=CC(=O)O)F
Synonym 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e
IUPAC Name (E)-3-(4-fluorophenyl)prop-2-enoic acid
InChI Key ISMMYAZSUSYVQG-ZZXKWVIFSA-N
Molecular Formula C9H7FO2
52

Naringin

CAS: 10236-47-2 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.54 MDL Number: MFCD00148888,MFCD00149445,MFCD01461988 InChI Key: DFPMSGMNTNDNHN-ZPHOTFPESA-N Synonym: 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

PubChem CID 74787988
CAS 10236-47-2
Molecular Weight (g/mol) 580.54
MDL Number MFCD00148888,MFCD00149445,MFCD01461988
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
Synonym 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside
IUPAC Name 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI Key DFPMSGMNTNDNHN-ZPHOTFPESA-N
Molecular Formula C27H32O14
53

Quercetin dihydrate, 99.85%, For HPLC analysis, MP Biomedicals™

CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.27 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

PubChem CID 5284452
CAS 6151-25-3
Molecular Weight (g/mol) 338.27
MDL Number MFCD00149487
SMILES O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
Synonym quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
InChI Key GMGIWEZSKCNYSW-UHFFFAOYSA-N
Molecular Formula C15H14O9
54
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1,3-Diphenylacetone, 98+%

CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00004795 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: O=C(CC1=CC=CC=C1)CC1=CC=CC=C1

PubChem CID 7593
CAS 102-04-5
Molecular Weight (g/mol) 210.28
MDL Number MFCD00004795
SMILES O=C(CC1=CC=CC=C1)CC1=CC=CC=C1
Synonym 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397
IUPAC Name 1,3-diphenylpropan-2-one
InChI Key YFKBXYGUSOXJGS-UHFFFAOYSA-N
Molecular Formula C15H14O
55
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6-Aminocoumarin hydrochloride, 97%

CAS: 63989-79-7 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.62 MDL Number: MFCD00082671 InChI Key: OSIGAIXSSYAHEG-UHFFFAOYSA-N Synonym: 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1 PubChem CID: 356789 IUPAC Name: 6-aminochromen-2-one;hydrochloride SMILES: [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1

PubChem CID 356789
CAS 63989-79-7
Molecular Weight (g/mol) 197.62
MDL Number MFCD00082671
SMILES [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1
Synonym 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1
IUPAC Name 6-aminochromen-2-one;hydrochloride
InChI Key OSIGAIXSSYAHEG-UHFFFAOYSA-N
Molecular Formula C9H8ClNO2
56
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Quercetin hydrate, 95%

CAS: 849061-97-8 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.24 MDL Number: MFCD03847906 InChI Key: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate PubChem CID: 16212154 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1

PubChem CID 16212154
CAS 849061-97-8
Molecular Weight (g/mol) 302.24
MDL Number MFCD03847906
SMILES OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
Synonym quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
InChI Key REFJWTPEDVJJIY-UHFFFAOYSA-N
Molecular Formula C15H10O7
57

Demeclocycline hydrochloride

CAS: 64-73-3 Molecular Formula: C21H22Cl2N2O8 Molecular Weight (g/mol): 501.313 MDL Number: MFCD00082371 InChI Key: OAPVUSSHCBRCOL-KBHRXELFSA-N Synonym: demeclocycline hydrochloride,demeclocycline hcl,declomycin,detravis,ledermycine,clortetrin,ledermycin,ledermicina,veraciclina,demeplus PubChem CID: 54686764 IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride SMILES: CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl

PubChem CID 54686764
CAS 64-73-3
Molecular Weight (g/mol) 501.313
MDL Number MFCD00082371
SMILES CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl
Synonym demeclocycline hydrochloride,demeclocycline hcl,declomycin,detravis,ledermycine,clortetrin,ledermycin,ledermicina,veraciclina,demeplus
IUPAC Name (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
InChI Key OAPVUSSHCBRCOL-KBHRXELFSA-N
Molecular Formula C21H22Cl2N2O8
58

7-Methoxyflavone 98.0+%, TCI America™

CAS: 22395-22-8 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00017462 InChI Key: QKNDCRMJDZLFEG-UHFFFAOYSA-N Synonym: 7-methoxyflavone,7-methoxy-2-phenyl-4h-chromen-4-one,flavone, 7-methoxy,unii-xk561ap5ur,7-methoxy-2-phenyl-chromen-4-one,xk561ap5ur,7-methoxy-2-phenylchromone,7-methoxy flavone,7-methoxy-2-phenyl-4h-benzopyran-4-one PubChem CID: 466268 IUPAC Name: 7-methoxy-2-phenylchromen-4-one SMILES: COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

PubChem CID 466268
CAS 22395-22-8
Molecular Weight (g/mol) 252.269
MDL Number MFCD00017462
SMILES COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
Synonym 7-methoxyflavone,7-methoxy-2-phenyl-4h-chromen-4-one,flavone, 7-methoxy,unii-xk561ap5ur,7-methoxy-2-phenyl-chromen-4-one,xk561ap5ur,7-methoxy-2-phenylchromone,7-methoxy flavone,7-methoxy-2-phenyl-4h-benzopyran-4-one
IUPAC Name 7-methoxy-2-phenylchromen-4-one
InChI Key QKNDCRMJDZLFEG-UHFFFAOYSA-N
Molecular Formula C16H12O3
59

1,3-Diphenyl-1,3-propanedione 98.0+%, TCI America™

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

PubChem CID 8433
CAS 120-46-7
Molecular Weight (g/mol) 224.259
ChEBI CHEBI:75417
MDL Number MFCD00003085
SMILES C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Synonym dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc
IUPAC Name 1,3-diphenylpropane-1,3-dione
InChI Key NZZIMKJIVMHWJC-UHFFFAOYSA-N
Molecular Formula C15H12O2
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6,7-Dihydroxy-4-methylcoumarin, 97%

CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O

PubChem CID 5319502
CAS 529-84-0
Molecular Weight (g/mol) 192.17
MDL Number MFCD00006859
SMILES CC1=CC(=O)OC2=CC(=C(C=C12)O)O
Synonym 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one
IUPAC Name 6,7-dihydroxy-4-methylchromen-2-one
InChI Key KVOJTUXGYQVLAJ-UHFFFAOYSA-N
Molecular Formula C10H8O4