chempirical

3-(2,3-Dimethoxyphenyl)-2-propenoic acid

C11H12O4CAS 7461-60-1208.21 g/mol

Open in Covalent MOL file
OOOHO
AlkeneCarboxylic acidEther

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
Melting point
180 °C
logP
1.80Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
7461-60-1
SMILES
COc1cccc(C=CC(=O)O)c1OC
InChIKey
QAXPUWGAGVERSJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)

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Names and synonyms

5 names
  • 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-
  • Cinnamic acid, 2,3-dimethoxy-
  • 2,3-Dimethoxycinnamic acid
  • NSC 235795
  • NSC 403612

Reactions

Work with 3-(2,3-Dimethoxyphenyl)-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-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-978 % similar trans-2-Methoxycinnamic acid1011-54-776 % similar 2-Methoxycinnamic acid6099-03-276 % similar 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-060 % similar (E)-3,4,5-Trimethoxycinnamic acid20329-98-059 % similar 3,4,5-Trimethoxycinnamic acid90-50-659 % similar 2,4-Dimethoxycinnamic acid6972-61-858 % similar 3-[2-(Acetyloxy)phenyl]-2-propenoic acid55620-18-355 % similar

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

Same formula

Ethyl caffeate102-37-4 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-9 Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate105560-93-8 3,4-Dimethoxycinnamic acid14737-89-4 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one16135-41-4 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8 Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-5

Elsewhere

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