Syringic acid
Properties
- Molecular formula
- C9H10O5
- Molar mass
- 198.17 g/mol
- Exact mass
- 198.0528 Da
- Melting point
- 206–209 °C
- Boiling point
- 440 °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 irritation98.7% of notifiers
Aggregated from 75 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
530-57-4SMILES
COc1cc(C(=O)O)cc(OC)c1OInChIKey
JMSVCTWVEWCHDZ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/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, 4-hydroxy-3,5-dimethoxy-
- 4-Hydroxy-3,5-dimethoxybenzoic acid
- 3,5-Dimethoxy-4-hydroxybenzoic acid
- Cedar acid
- 2,6-Dimethoxy-4-carboxyphenol
- Gallic acid 3,5-dimethyl ether
- NSC 2129
Work with Syringic 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-O-Methylgallic acid3934-84-781 % similar
3-Chloro-4-hydroxy-5-methoxybenzoic acid62936-23-676 % similar
Eudesmic acid118-41-271 % similar
3,5-Dimethoxy-4-methylbenzoic acid61040-81-169 % similar
4-Hydroxy-3-methoxy-5-nitrobenzoic acid15785-54-367 % similar
4-Bromo-3,5-dimethoxybenzoic acid56518-42-467 % similar
Acetosyringone2478-38-864 % similar
Veratric acid93-07-264 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds