3,4,5-Trimethoxyphenylacetic acid

C₁₁H₁₄O₅CAS 951-82-6226.23 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₄O₅
Molar mass: 226.23 g/mol
Exact mass: 226.0841 Da
Melting point: 74 °C
logP: 1.34Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

951-82-6

SMILES

COc1cc(CC(=O)O)cc(OC)c1OC

InChIKey

DDSJXCGGOXKGSJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)

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

Names and synonyms

6 names

Benzeneacetic acid, 3,4,5-trimethoxy-
Acetic acid, (3,4,5-trimethoxyphenyl)-
3,4,5-Trimethoxybenzeneacetic acid
NSC 130961
NSC 91017
2-(3,4,5-Trimethoxyphenyl)acetic acid

Work with 3,4,5-Trimethoxyphenylacetic 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

3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-274 % similar 3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-271 % similar (3,5-Dimethoxyphenyl)acetic acid4670-10-465 % similar Homovanillic acid306-08-163 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-859 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-259 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-859 % similar (4-Methoxyphenyl)acetic acid104-01-856 % similar

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

Same formula

Butyl gallate1083-41-6 Methyl 3,4,5-trimethoxybenzoate1916-07-0 2,3,4-Trimethoxybenzeneacetic acid22480-91-7 Isobutyl gallate3856-05-1 Genipin6902-77-8

Elsewhere

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