4-Hydroxyphthalic acid

C8H6O5CAS 610-35-5182.13 g/mol

Open in Covalent MOL file
OHOOHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C8H6O5
Molar mass
182.13 g/mol
Exact mass
182.0215 Da
Melting point
205 °C
logP
0.79Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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
610-35-5
SMILES
O=C(O)c1ccc(O)cc1C(=O)O
InChIKey
MWRVRCAFWBBXTL-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

3 names
  • 1,2-Benzenedicarboxylic acid, 4-hydroxy-
  • Phthalic acid, 4-hydroxy-
  • 4-Hydroxy-1,2-benzenedicarboxylic acid

Work with 4-Hydroxyphthalic 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

Gentisic acid490-79-971 % similar 2,4-Dihydroxybenzoic acid89-86-171 % similar 5-Hydroxyanthranilic acid394-31-067 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-167 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-967 % similar 2-Chloro-5-hydroxybenzoic acid56961-30-967 % similar 5-Hydroxy-2-methylbenzoic acid578-22-367 % similar 4-Hydroxy-2-methylbenzoic acid578-39-267 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Monoperoxyphthalic acid2311-91-3 2-Hydroxy-1,3-benzenedicarboxylic acid606-19-9 5-Hydroxyisophthalic acid618-83-7 4-Hydroxyisophthalic acid636-46-4 2-Hydroxyterephthalic acid636-94-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook