4,4'-Dihydroxy-biphenyl-2-carboxylic acid

C₁₃H₁₀O₄CAS 53197-57-2230.22 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₁₃H₁₀O₄
Molar mass: 230.22 g/mol
Exact mass: 230.0579 Da
logP: 2.46Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53197-57-2

SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)O)C(=O)O)O

InChIKey

BBGRLYLKUDNCGG-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7,14-15H,(H,16,17)

Weigh it out

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Work with 4,4'-Dihydroxy-biphenyl-2-carboxylic 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

4-Hydroxyphthalic acid610-35-565 % similar Gentisic acid490-79-961 % similar 5-Hydroxyanthranilic acid394-31-057 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-157 % similar 2-Chloro-5-hydroxybenzoic acid56961-30-957 % similar 5-Hydroxy-2-methylbenzoic acid578-22-357 % similar 2-Bromo-5-hydroxybenzoic acid58380-11-357 % similar 2,4-Dihydroxybenzoic acid89-86-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3,4-Trihydroxybenzophenone1143-72-2 2,4,4′-Trihydroxybenzophenone1470-79-7 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-0 Visnagin82-57-5

Elsewhere

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