3,4-Dimethoxycinnamic acid

C₁₁H₁₂O₄CAS 14737-89-4208.21 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₂O₄
Molar mass: 208.21 g/mol
Exact mass: 208.0736 Da
Melting point: 179.4–181.1 °C
logP: 1.80Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed96.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 26 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14737-89-4

SMILES

COc1ccc(/C=C/C(=O)O)cc1OC

InChIKey

HJBWJAPEBGSQPR-GQCTYLIASA-N

InChI

InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+

Weigh it out

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

Names and synonyms

12 names

2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (2E)-
Cinnamic acid, 3,4-dimethoxy-, (E)-
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-
(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid
3,4-Dimethoxy-trans-cinnamic acid
(E)-3,4-Dimethoxycinnamic acid
trans-3,4-Dimethoxycinnamic acid
(2E)-(3,4-Dimethoxyphenyl)-2-propenoic acid
trans-3-(3,4-Dimethoxyphenyl)-2-propenoic acid
trans-3,4-Di-O-methylcaffeic acid
(E)-3-(3,4-Dimethoxyphenyl)acrylic acid
(E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid

Work with 3,4-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.

3′,4′-Dimethoxycinnamic acid2316-26-9Stereo not defined

Similar compounds

3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-678 % similar Ferulic acid1135-24-676 % similar Isoferulic acid537-73-576 % similar Ferulic acid537-98-476 % similar 4-Benzyloxy-3-methoxycinnamic acid7152-95-670 % similar 3,4,5-Trimethoxycinnamic acid20329-98-070 % similar 3,4,5-Trimethoxycinnamic acid90-50-670 % similar Sinapinic acid530-59-668 % 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 2',5'-Dimethoxycinnamic acid161282-95-7 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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