2-Hydroxyterephthalic acid

C8H6O5CAS 636-94-2182.13 g/mol

Open in Covalent MOL file
OHOOHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C8H6O5
Molar mass
182.13 g/mol
Exact mass
182.0215 Da
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 43 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
636-94-2
SMILES
C1=CC(=C(C=C1C(=O)O)O)C(=O)O
InChIKey
CDOWNLMZVKJRSC-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(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.

Work with 2-Hydroxyterephthalic 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

Protocatechuic acid99-50-371 % similar 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-269 % similar Trimellitic acid528-44-968 % similar 2,4-Dihydroxybenzoic acid89-86-167 % similar 2,5-Dihydroxyterephthalic acid610-92-463 % similar 4-Bromo-3-hydroxybenzoic acid14348-38-063 % similar 4-Bromo-2-hydroxybenzoic acid1666-28-063 % similar 4-Amino-3-hydroxybenzoic acid2374-03-063 % 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 4-Hydroxyphthalic acid610-35-5 5-Hydroxyisophthalic acid618-83-7 4-Hydroxyisophthalic acid636-46-4

Elsewhere

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