Gallic acid

C7H6O5CAS 149-91-7170.12 g/mol

Open in Covalent MOL file
OHOOHOHOH
Carboxylic acidPhenol

Properties

Molecular formula
C7H6O5
Molar mass
170.12 g/mol
Exact mass
170.0215 Da
Density
169 g/mL (at 20 °C)
Melting point
210 °C
Boiling point
501 °C
pKa
4.4
Water solubility
11 g/L
logP
0.50Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 405 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
149-91-7
SMILES
O=C(O)c1cc(O)c(O)c(O)c1
InChIKey
LNTHITQWFMADLM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Benzoic acid, 3,4,5-trihydroxy-
  • 3,4,5-Trihydroxybenzoic acid
  • NSC 20103
  • NSC 674319
  • 3,4,5-Hydroxybenzoic acid
  • A 1925-04

Work with Gallic 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.

Gallic acid monohydrate5995-86-8Hydrate Bismuth subgallate99-26-3Salt

Similar compounds

3-O-Methylgallic acid3934-84-766 % similar 4-Bromo-3,5-dihydroxybenzoic acid16534-12-664 % similar 3,5-Dihydroxy-4-methylbenzoic acid28026-96-264 % similar Trimesic acid554-95-061 % similar Protocatechuic acid99-50-361 % similar 3,5-Dichloro-4-hydroxybenzoic acid3336-41-259 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-059 % similar 4-Hydroxy-3,5-dimethylbenzoic acid4919-37-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acrylic acid-maleic anhydride copolymer26677-99-6 2,3,4-Trihydroxybenzoic acid610-02-6 Phloroglucinol carboxylic acid83-30-7

Elsewhere

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