3-Hydroxy-4,5-dimethoxybenzoic acid
Properties
- Molecular formula
- C9H10O5
- Molar mass
- 198.17 g/mol
- Exact mass
- 198.0528 Da
- Melting point
- 194–195 °C
- logP
- 1.11Crippen estimate
- Polar surface area
- 76.0 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 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
1916-08-1SMILES
COc1cc(C(=O)O)cc(O)c1OCInChIKey
WFIBQVFJXGQICQ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzoic acid, 3-hydroxy-4,5-dimethoxy-
- Veratric acid, 5-hydroxy-
- Gallic acid, 3,4-dimethyl ether
- 3,4-Dimethoxy-5-hydroxybenzoic acid
- 5-Hydroxy-3,4-dimethoxybenzoic acid
- NSC 19885
- 3,4-O-Dimethylgallic acid
Work with 3-Hydroxy-4,5-dimethoxybenzoic acid
Similar compounds
Eudesmic acid118-41-278 % similar
3-O-Methylgallic acid3934-84-772 % similar
Methyl 3-hydroxy-4,5-dimethoxybenzoate83011-43-266 % similar
Vanillic acid121-34-665 % similar
Isovanillic acid645-08-965 % similar
3,5-Dimethoxy-4-methylbenzoic acid61040-81-161 % similar
4-Bromo-3,5-dimethoxybenzoic acid56518-42-459 % similar
4-Methoxy-3,5-dimethylbenzoic acid21553-46-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds