chempirical

2,3-Dihydroxy-1,4-benzenedicarboxylic acid

C8H6O6CAS 19829-72-2198.13 g/mol

Open in Covalent MOL file
OHOOOHOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C8H6O6
Molar mass
198.13 g/mol
Exact mass
198.0164 Da
Melting point
293 °C
logP
0.49Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Identifiers

CAS number
19829-72-2
SMILES
O=C(O)c1ccc(C(=O)O)c(O)c1O
InChIKey
OHLSHRJUBRUKAN-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)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

5 names
  • 1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-
  • Terephthalic acid, 2,3-dihydroxy-
  • 2,3-Dihydroxyterephthalic acid
  • NSC 38869
  • 2,3-Dihydroxy-p-benzenediacetic acid

Work with 2,3-Dihydroxy-1,4-benzenedicarboxylic 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

2,3,4-Trihydroxybenzoic acid610-02-679 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-264 % similar 2,3-Dihydroxybenzoic acid303-38-863 % similar 1-Hydroxy-2-naphthoic acid86-48-662 % similar 3-Chlorosalicylic acid1829-32-961 % similar 3-Aminosalicylic acid570-23-059 % similar 3-Methylsalicylic acid83-40-959 % similar Phthalic acid88-99-357 % similar

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

Same formula

1,2,3,4-Butanetetracarboxylic dianhydride4534-73-0 2,5-Dihydroxyterephthalic acid610-92-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook