3-Methoxycinnamic acid

C₁₀H₁₀O₃CAS 17570-26-2178.19 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₀O₃
Molar mass: 178.19 g/mol
Exact mass: 178.0630 Da
logP: 1.79Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

17570-26-2

SMILES

COC1=CC=CC(=C1)/C=C/C(=O)O

InChIKey

LZPNXAULYJPXEH-AATRIKPKSA-N

InChI

InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+

Weigh it out

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

Work with 3-Methoxycinnamic 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-Methoxycinnamic acid6099-04-3Stereo not defined

Similar compounds

3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-872 % similar 4-Methoxycinnamic acid830-09-168 % similar trans-4-Methoxycinnamic acid943-89-568 % similar 3-(Trifluoromethoxy)cinnamic acid168833-80-564 % similar 3,4-Dimethoxycinnamic acid14737-89-463 % similar 3′,4′-Dimethoxycinnamic acid2316-26-963 % similar 3-Methylcinnamic acid14473-89-362 % similar 3-(3-Methylphenyl)-2-propenoic acid3029-79-662 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 3-(Oxiran-2-ylmethoxy)benzaldehyde22590-64-3

Elsewhere

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