3-Methoxycinnamic acid

C10H10O3CAS 6099-04-3178.19 g/mol

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OOOH
AlkeneCarboxylic acidEther

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
100 °C
logP
1.79Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6099-04-3
SMILES
COc1cccc(C=CC(=O)O)c1
InChIKey
LZPNXAULYJPXEH-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)

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Names and synonyms

6 names
  • 2-Propenoic acid, 3-(3-methoxyphenyl)-
  • Cinnamic acid, m-methoxy-
  • 3-(3-Methoxyphenyl)-2-propenoic acid
  • m-Methoxycinnamic acid
  • 3-(3-Methoxyphenyl)acrylic acid
  • NSC 5234

Work with 3-Methoxycinnamic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Methoxycinnamic acid17570-26-2Defined stereoisomer

Similar compounds

3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-872 % similar 4-Methoxycinnamic acid830-09-168 % similar 4-Methoxycinnamic acid943-89-568 % similar 3-(Trifluoromethoxy)cinnamic acid168833-80-564 % similar 3,4-Dimethoxycinnamic acid14737-89-463 % similar 3′,4′-Dimethoxycinnamic acid2316-26-963 % similar 3-Methylcinnamic acid14473-89-362 % similar 3-(3-Methylphenyl)-2-propenoic acid3029-79-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8

Elsewhere

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