3-(3,5-Dimethoxyphenyl)-2-propenoic acid

C₁₁H₁₂O₄CAS 16909-11-8208.21 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: 174 °C
logP: 1.80Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

16909-11-8

SMILES

COc1cc(C=CC(=O)O)cc(OC)c1

InChIKey

VLSRUFWCGBMYDJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

2-Propenoic acid, 3-(3,5-dimethoxyphenyl)-
Cinnamic acid, 3,5-dimethoxy-
3,5-Dimethoxycinnamic acid
3-(3,5-Dimethoxyphenyl)acrylic acid

Work with 3-(3,5-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-Methoxycinnamic acid17570-26-272 % similar 3-Methoxycinnamic acid6099-04-372 % similar 4-Methoxycinnamic acid830-09-171 % similar 4-Methoxycinnamic acid943-89-571 % similar 3,4,5-Trimethoxycinnamic acid20329-98-067 % similar 3,4,5-Trimethoxycinnamic acid90-50-667 % similar Sinapinic acid530-59-665 % similar 3′,4′-Dimethoxycinnamic acid2316-26-961 % 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 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-5

Elsewhere

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