Gallic acid monohydrate
Properties
- Molecular formula
- C7H8O6
- Molar mass
- 188.13 g/mol
- Exact mass
- 188.0321 Da
- Melting point
- 258–260 °C
- logP
- -0.32Crippen estimate
- Polar surface area
- 129.5 Ų
- H-bond donors / acceptors
- 4 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation48.3% of notifiers
- H319 Causes serious eye irritation48.3% of notifiers
- H335 May cause respiratory irritation48.3% of notifiers
Aggregated from 207 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
5995-86-8SMILES
O.O=C(O)c1cc(O)c(O)c(O)c1InChIKey
IUTKPPDDLYYMBE-UHFFFAOYSA-NInChI
InChI=1S/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 3,4,5-Trihydroxybenzoic acid hydrate (1:1)
- Benzoic acid, 3,4,5-trihydroxy-, hydrate (1:1)
- Gallic acid, monohydrate
- Benzoic acid, 3,4,5-trihydroxy-, monohydrate
Work with Gallic acid monohydrate
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
3-O-Methylgallic acid3934-84-760 % similar
4-Bromo-3,5-dihydroxybenzoic acid16534-12-658 % similar
3,5-Dihydroxy-4-methylbenzoic acid28026-96-258 % similar
Protocatechuic acid99-50-355 % similar
Trimesic acid554-95-054 % similar
3,5-Dichloro-4-hydroxybenzoic acid3336-41-253 % similar
3,5-Dibromo-4-hydroxybenzoic acid3337-62-053 % similar
4-Hydroxy-3,5-dimethylbenzoic acid4919-37-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds