(3,5-Dimethoxyphenyl)acetic acid

C₁₀H₁₂O₄CAS 4670-10-4196.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
Melting point: 99–100 °C
logP: 1.33Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

4670-10-4

SMILES

COc1cc(CC(=O)O)cc(OC)c1

InChIKey

FFPAFDDLAGTGPQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 3,5-dimethoxy-
Acetic acid, (3,5-dimethoxyphenyl)-
3,5-Dimethoxybenzeneacetic acid
2-(3,5-Dimethoxyphenyl)acetic acid

Work with (3,5-Dimethoxyphenyl)acetic 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-Methoxyphenyl)acetic acid1798-09-071 % similar 3,5-Dimethoxyphenylpropionic acid717-94-270 % similar (4-Methoxyphenyl)acetic acid104-01-869 % similar 2,6-Difluoro-4-methoxyphenylacetic acid886498-98-266 % similar 3,4,5-Trimethoxyphenylacetic acid951-82-665 % similar 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-263 % similar 6-Methoxy-2-naphthylacetic acid23981-47-762 % similar (3,4-Dimethoxyphenyl)acetic acid93-40-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0

Elsewhere

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