3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid

C₁₂H₁₄O₅CAS 33130-03-9238.24 g/mol

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Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₄O₅
Molar mass: 238.24 g/mol
Exact mass: 238.0841 Da
Melting point: 172 °C
logP: 1.81Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

33130-03-9

SMILES

COc1ccc(C=CC(=O)O)c(OC)c1OC

InChIKey

ZYOPDNLIHHFGEC-UHFFFAOYSA-N

InChI

InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)

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Names and synonyms

3 names

2-Propenoic acid, 3-(2,3,4-trimethoxyphenyl)-
2,3,4-Trimethoxycinnamic acid
3-(2,3,4-Trimethoxyphenyl)propenoic acid

Work with 3-(2,3,4-Trimethoxyphenyl)-2-propenoic 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-(2,3-Dimethoxyphenyl)-2-propenoic acid7461-60-178 % similar trans-2-Methoxycinnamic acid1011-54-766 % similar 2-Methoxycinnamic acid6099-03-266 % similar 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-965 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-465 % similar 2,4-Dimethoxycinnamic acid6972-61-865 % similar 3,4-Dimethoxycinnamic acid14737-89-460 % similar 3′,4′-Dimethoxycinnamic acid2316-26-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(E)-3,4,5-Trimethoxycinnamic acid20329-98-0 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-0 3,4,5-Trimethoxycinnamic acid90-50-6

Elsewhere

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