4-Methoxy-3,5-dimethylbenzoic acid
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- Melting point
- 192–193 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed95.1% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501
Identifiers
CAS number
21553-46-8SMILES
COc1c(C)cc(C(=O)O)cc1CInChIKey
WXVQURJGDUNJCS-UHFFFAOYSA-NInChI
InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoic acid, 4-methoxy-3,5-dimethyl-
- p-Anisic acid, 3,5-dimethyl-
- 3,5-Dimethyl-4-methoxybenzoic acid
- 3,5-Dimethyl-p-anisic acid
Work with 4-Methoxy-3,5-dimethylbenzoic acid
Similar compounds
Eudesmic acid118-41-266 % similar
4-Methoxy-3-methylbenzoic acid6880-04-263 % similar
3,5-Difluoro-4-methoxybenzoic acid319-60-862 % similar
3,5-Dibromo-4-methoxybenzoic acid4073-35-262 % similar
3,5-Dimethoxybenzoic acid1132-21-459 % similar
5-Methoxyisophthalic acid46331-50-459 % similar
4-Hydroxy-3,5-dimethylbenzoic acid4919-37-359 % similar
3,5-Dimethoxy-4-methylbenzoic acid61040-81-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.