2-Methoxycinnamic acid

C10H10O3CAS 6099-03-2178.19 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
183 °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
6099-03-2
SMILES
COc1ccccc1C=CC(=O)O
InChIKey
FEGVSPGUHMGGBO-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)

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Names and synonyms

8 names
  • 2-Propenoic acid, 3-(2-methoxyphenyl)-
  • 3-(2-Methoxyphenyl)acrylic acid
  • Cinnamic acid, o-methoxy-
  • 3-(2-Methoxyphenyl)-2-propenoic acid
  • o-Methoxycinnamic acid
  • NSC 638141
  • NSC 8135
  • NCI 8135

Work with 2-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.

trans-2-Methoxycinnamic acid1011-54-7Defined stereoisomer

Similar compounds

2',3'-Dimethoxycinnamic acid7345-82-676 % similar 3-(2,3-Dimethoxyphenyl)-2-propenoic acid7461-60-176 % similar (1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one39777-61-269 % similar 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-967 % similar 2',5'-Dimethoxycinnamic acid161282-95-767 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-467 % similar 3-[2-(Acetyloxy)phenyl]-2-propenoic acid55620-18-367 % similar 3-(2-Ethoxyphenyl)-2-propenoic acid69038-81-967 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Methoxycinnamic acid17570-26-2 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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