Isovanillic acid
Properties
- Molecular formula
- C8H8O4
- Molar mass
- 168.15 g/mol
- Exact mass
- 168.0423 Da
- Melting point
- 154–155 °C
- logP
- 1.10Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
645-08-9SMILES
COc1ccc(C(=O)O)cc1OInChIKey
LBKFGYZQBSGRHY-UHFFFAOYSA-NInChI
InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 3-hydroxy-4-methoxy-
- p-Anisic acid, 3-hydroxy-
- 3-Hydroxy-4-methoxybenzoic acid
- 3-Hydroxy-p-anisic acid
- 5-Carboxy-2-methoxyphenol
- 4-Methoxy-3-hydroxybenzoic acid
Work with Isovanillic acid
Similar compounds
Veratric acid93-07-273 % similar
4-Methoxy-1,3-benzenedicarboxylic acid2206-43-169 % similar
3-Amino-4-methoxybenzoic acid2840-26-867 % similar
1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-967 % similar
4-Methoxy-3-methylbenzoic acid6880-04-267 % similar
3-Hydroxy-4,5-dimethoxybenzoic acid1916-08-165 % similar
3-Chloro-p-anisic acid37908-96-665 % similar
3-O-Methylgallic acid3934-84-765 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.