2,3,4-Trihydroxybenzoic acid

C₇H₆O₅CAS 610-02-6170.12 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₇H₆O₅
Molar mass: 170.12 g/mol
Exact mass: 170.0215 Da
Melting point: 221 °C
logP: 0.50Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 1

Identifiers

CAS number

610-02-6

SMILES

O=C(O)c1ccc(O)c(O)c1O

InChIKey

BRRSNXCXLSVPFC-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)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.

Names and synonyms

4 names

Benzoic acid, 2,3,4-trihydroxy-
2,3,4-Trihydroxybenzenecarboxylic acid
4-Pyrogallolcarboxylic acid
NSC 27436

Work with 2,3,4-Trihydroxybenzoic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-279 % similar 2,3-Dihydroxybenzoic acid303-38-869 % similar 2,5-Dihydroxyterephthalic acid610-92-454 % similar Salicylic acid69-72-753 % similar Gentisic acid490-79-953 % similar 4-Hydroxyisophthalic acid636-46-453 % similar 2,4-Dihydroxybenzoic acid89-86-153 % similar 2,3,4-Trihydroxybenzophenone1143-72-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Gallic acid149-91-7 Acrylic acid-maleic anhydride copolymer26677-99-6 Phloroglucinol carboxylic acid83-30-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook