4-Hydroxyphthalic acid

C₈H₆O₅CAS 610-35-5182.13 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

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 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 4-Hydroxy-2-methylbenzoic acid578-39-267 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-367 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-063 % 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

Elsewhere

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