chempirical

2-Methoxycinnamic acid

C10H10O3CAS 6099-03-2178.19 g/mol

Open in Covalent MOL file
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

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-967 % 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 2,4-Dimethoxycinnamic acid6972-61-867 % similar 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-966 % similar 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-065 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-161 % 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 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 1-[3-(Acetyloxy)phenyl]ethanone2454-35-5 3,4-Methylenedioxypropiophenone28281-49-4 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-1

Elsewhere

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