3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid

C₁₄H₁₀O₆CAS 861533-46-2274.23 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₁₄H₁₀O₆
Molar mass: 274.23 g/mol
Exact mass: 274.0477 Da
logP: 2.16Crippen estimate
Polar surface area: 115.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

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

861533-46-2

SMILES

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

InChIKey

HVMTVUVEDJACFQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H10O6/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6,15-16H,(H,17,18)(H,19,20)

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Work with 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic 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-Hydroxyterephthalic acid636-94-269 % similar 2,4-Dihydroxybenzoic acid89-86-169 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-067 % similar 2,5-Dihydroxyterephthalic acid610-92-465 % similar 4-Bromo-2-hydroxybenzoic acid1666-28-065 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-965 % similar 4-Methylsalicylic acid50-85-165 % similar 4-Chlorosalicylic acid5106-98-965 % similar

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

Same formula

4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-6 Bellidifolin2798-25-6

Elsewhere

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