2,4-Dimethoxycinnamic acid

C11H12O4CAS 6972-61-8208.21 g/mol

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OOOHO
AlkeneCarboxylic acidEther

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
Melting point
182–184 °C
logP
1.80Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

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
6972-61-8
SMILES
COc1ccc(C=CC(=O)O)c(OC)c1
InChIKey
YIKHDPHTFYWYJV-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)

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Names and synonyms

4 names
  • 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-
  • Cinnamic acid, 2,4-dimethoxy-
  • 3-(2,4-Dimethoxyphenyl)-2-propenoic acid
  • NSC 62137

Work with 2,4-Dimethoxycinnamic 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.

(2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4Defined stereoisomer

Similar compounds

3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-068 % similar trans-2-Methoxycinnamic acid1011-54-767 % similar 2-Methoxycinnamic acid6099-03-267 % similar 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-965 % similar 4-Methoxycinnamic acid830-09-162 % similar 4-Methoxycinnamic acid943-89-562 % similar 5-Bromo-2-methoxycinnamic acid40803-53-060 % similar 3-Methoxycinnamic acid17570-26-260 % 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 2',5'-Dimethoxycinnamic acid161282-95-7 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one16135-41-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8

Elsewhere

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