2,3,4-Trimethoxybenzeneacetic acid

C11H14O5CAS 22480-91-7226.23 g/mol

Open in Covalent MOL file
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Carboxylic acidEther

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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
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

2,3-Dimethoxyphenylacetic acid90-53-975 % similar 2-Methoxyphenylacetic acid93-25-462 % similar 2,5-Dimethoxyphenylacetic acid1758-25-462 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-562 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-859 % similar 5-Bromo-2-methoxyphenylacetic acid7017-48-359 % similar (3,4-Dimethoxyphenyl)acetic acid93-40-356 % similar 2,3,4-Trimethoxybenzyl alcohol71989-96-356 % 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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