5-Hydroxyisophthalic acid

C₈H₆O₅CAS 618-83-7182.13 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: 293 °C
logP: 0.79Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation94.4% of notifiers
H319 Causes serious eye irritation96.3% of notifiers
H335 May cause respiratory irritation85.2% of notifiers

Aggregated from 54 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

618-83-7

SMILES

O=C(O)c1cc(O)cc(C(=O)O)c1

InChIKey

QNVNLUSHGRBCLO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)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

5 names

1,3-Benzenedicarboxylic acid, 5-hydroxy-
Isophthalic acid, 5-hydroxy-
5-Hydroxy-1,3-benzenedicarboxylic acid
3,5-Dicarboxyphenol
NSC 302088

Work with 5-Hydroxyisophthalic 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

3,5-Dihydroxybenzoic acid99-10-590 % similar Trimesic acid554-95-075 % similar 3-Bromo-5-hydroxybenzoic acid140472-69-173 % similar 3-Chloro-5-hydroxybenzoic Acid53984-36-470 % similar 3-Amino-5-hydroxybenzoic acid76045-71-170 % similar Biphenyl-3,3',5,5'-tetracarboxylic acid4371-28-265 % similar 3-Hydroxy-5-(trifluoromethyl)benzoic acid328-69-863 % similar 3-Hydroxybenzoic acid99-06-963 % 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 4-Hydroxyphthalic acid610-35-5 4-Hydroxyisophthalic acid636-46-4 2-Hydroxyterephthalic acid636-94-2

Elsewhere

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