2-Carboxymethyl-5-methoxy-benzoic acid

C₁₀H₁₀O₅CAS 52962-25-1210.19 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₀O₅
Molar mass: 210.19 g/mol
Exact mass: 210.0528 Da
Melting point: 188 °C
logP: 1.02Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

52962-25-1

SMILES

COc1ccc(CC(=O)O)c(C(=O)O)c1

InChIKey

TUJHFMJYEXSKLS-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

5 names

2-Carboxy-4-methoxybenzeneacetic acid
Benzeneacetic acid, 2-carboxy-4-methoxy-
m-Anisic acid, 6-(carboxymethyl)-
4-Methoxyhomophthalic acid
2-Carboxymethyl-5-methoxybenzoic acid

Work with 2-Carboxymethyl-5-methoxy-benzoic 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-(2,4-Dimethoxyphenyl)acetic acid6496-89-568 % similar 2-Bromo-4-methoxybenzeneacetic acid66916-99-264 % similar 2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-064 % similar 2,5-Dimethoxyphenylacetic acid1758-25-463 % similar 4-Methoxyphthalic acid1885-13-863 % similar 2,5-Dimethoxybenzoic acid2785-98-060 % similar 7-Methoxy-1-naphthaleneacetic acid6836-22-260 % similar 2-(Carboxymethyl)-5-fluorobenzoic acid583880-95-960 % similar

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

Same formula

Dimethyl 5-hydroxyisophthalate13036-02-7 2,4-Diacetylphloroglucinol2161-86-6 Dimethyl 4-hydroxyphthalate22479-95-4 6-Formyl-2,3-dimethoxybenzoic acid519-05-1 4-Hydroxyisophthalic acid dimethyl ester5985-24-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook