o-Anisic acid
Properties
- Molecular formula
- C8H8O3
- Molar mass
- 152.15 g/mol
- Exact mass
- 152.0473 Da
- Melting point
- 101 °C
- Boiling point
- 200 °C
- logP
- 1.39Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation98.4% of notifiers
- H319 Causes serious eye irritation98.4% of notifiers
Aggregated from 127 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
579-75-9SMILES
COc1ccccc1C(=O)OInChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-NInChI
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(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, 2-methoxy-
- 2-Methoxybenzoic acid
- o-Methoxybenzoic acid
- Salicylic acid methyl ether
- O-Methylsalicylic acid
- NSC 3778
Work with o-Anisic 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,3-Dimethoxybenzoic acid1521-38-672 % similar
3-Methoxy-2-methylbenzoic acid55289-06-070 % similar
3-Methoxysalicylic acid877-22-570 % similar
2-Fluoro-3-methoxybenzoic acid137654-20-768 % similar
2-Amino-3-methoxybenzoic acid3177-80-868 % similar
4-Methoxy-1-naphthalenecarboxylic acid13041-62-865 % similar
2,6-Dimethoxybenzoic acid1466-76-865 % similar
2-Methoxybenzamide2439-77-263 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.