3-Methoxybenzoic acid
Properties
- Molecular formula
- C8H8O3
- Molar mass
- 152.15 g/mol
- Exact mass
- 152.0473 Da
- Melting point
- 107 °C
- Boiling point
- 170 °C
- logP
- 1.39Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed95.1% 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
586-38-9SMILES
COc1cccc(C(=O)O)c1InChIKey
XHQZJYCNDZAGLW-UHFFFAOYSA-NInChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 3-methoxy-
- m-Anisic acid
- m-Methoxybenzoic acid
- 3-Anisic acid
- NSC 27014
- NSC 9264
Work with 3-Methoxybenzoic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3'-Methoxy-biphenyl-3-carboxylic acid168618-45-982 % similar
3'-Methoxy-biphenyl-4-carboxylic acid5783-36-869 % similar
4'-Methoxy-biphenyl-3-carboxylic acid725-05-369 % similar
3,5-Dimethoxybenzoic acid1132-21-468 % similar
5-Methoxyisophthalic acid46331-50-468 % similar
3-Phenoxybenzoic acid3739-38-667 % similar
6-Methoxy-2-naphthoic acid2471-70-766 % similar
3-(Difluoromethoxy)benzoic acid4837-19-864 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.