3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid



Compound number:
MolPort-003-779-978
CAS number: 25522-33-2; 537-73-5
IUPAC:
3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
IUPAC traditional:
isoferulic acid
SMILES:
COc1ccc(C=CC(O)=O)cc1O
InChI key:
QURCVMIEKCOAJU-UHFFFAOYSA-N
Molecular formula:
C10H10O4
Molecular weight: 194.186
Solubility: not available

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Compound Identifiers
Compound number: MolPort-003-779-978
CAS number: 25522-33-2; 537-73-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000156055
ZINC000006007141
MFCD00004391
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-
3-(3-Hydroxy-4-methoxyphenyl)acrylic acid
3-hydroxy-4-methoxycinnamic acid
(E)-3'-hydroxy-4'-methoxycinnamic acid

InChI
InChI: 1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)
InChI key: QURCVMIEKCOAJU-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C10H10O4
Molecular weight: 194.186

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