2,5-Dihydroxyterephthalic acid

C8H6O6CAS 610-92-4198.13 g/mol

Open in Covalent MOL file
OHOOHOOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C8H6O6
Molar mass
198.13 g/mol
Exact mass
198.0164 Da
Melting point
312 °C
logP
0.49Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
610-92-4
SMILES
O=C(O)c1cc(O)c(C(=O)O)cc1O
InChIKey
OYFRNYNHAZOYNF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

6 names
  • 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-
  • Terephthalic acid, 2,5-dihydroxy-
  • 2,5-Dihydroxy-1,4-benzenedicarboxylic acid
  • Hydroquinone-2,5-dicarboxylic acid
  • NSC 407960
  • DHTA

Work with 2,5-Dihydroxyterephthalic 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

5-Bromo-2,4-dihydroxybenzoic acid7355-22-867 % similar 3-Hydroxy-2-naphthoic acid92-70-667 % similar 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-665 % similar 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-265 % similar Gentisic acid490-79-963 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 2,4-Dihydroxybenzoic acid89-86-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-2 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook