2-Hydroxy-1,3-benzenedicarboxylic acid

C₈H₆O₅CAS 606-19-9182.13 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
logP: 0.79Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

606-19-9

SMILES

C1=CC(=C(C(=C1)C(=O)O)O)C(=O)O

InChIKey

WVDGHGISNBRCAO-UHFFFAOYSA-N

InChI

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

7 names

2-Hydroxybenzene-1,3-dicarboxylic acid
2-Hydroxyisophthalic acid
1,3-Benzenedicarboxylic acid, 2-hydroxy-
2-Hydroxyisophthalicacid
2-Hydroxy-1,3-benzene dicarboxylic acid
2-Hydroxy-isophthalic acid
2-Hydroxy-benzene-1,3-dicarboxylic acid

Reactions

2-HYDROXYISOPHTHALIC ACID (Isophthalic acid, 2-hydroxy-)product

Work with 2-Hydroxy-1,3-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-Dihydroxybenzoic acid303-38-877 % similar 3-Chlorosalicylic acid1829-32-974 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-274 % similar 3-Fluoro-2-hydroxybenzoic acid341-27-571 % similar 3-Aminosalicylic acid570-23-071 % similar 3-Methylsalicylic acid83-40-971 % similar Phthalic acid88-99-365 % similar 2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-065 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Monoperoxyphthalic acid2311-91-3 4-Hydroxyphthalic acid610-35-5 5-Hydroxyisophthalic acid618-83-7 4-Hydroxyisophthalic acid636-46-4 2-Hydroxyterephthalic acid636-94-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook