2,3,4-Trimethoxybenzeneacetic acid

C₁₁H₁₄O₅CAS 22480-91-7226.23 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: 120 °C
logP: 1.34Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

22480-91-7

SMILES

COc1ccc(CC(=O)O)c(OC)c1OC

InChIKey

ZMWCKCLDAQWIDA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 2,3,4-trimethoxy-
Acetic acid, (2,3,4-trimethoxyphenyl)-
2,3,4-Trimethoxyphenylacetic acid
2-(2,3,4-Trimethoxyphenyl)acetic acid

Work with 2,3,4-Trimethoxybenzeneacetic 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

2-Methoxyphenylacetic acid93-25-462 % similar 2,5-Dimethoxyphenylacetic acid1758-25-462 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-859 % similar 2,3,4-Trimethoxybenzyl alcohol71989-96-356 % similar 3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-455 % similar 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-253 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-852 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-252 % 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 Isobutyl gallate3856-05-1 Genipin6902-77-8 3,4,5-Trimethoxyphenylacetic acid951-82-6

Elsewhere

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