4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid

C₁₄H₁₀O₆CAS 13987-45-6274.23 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

13987-45-6

SMILES

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

InChIKey

UISWLBIMLGAHMF-UHFFFAOYSA-N

InChI

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

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Work with 4,4'-Dihydroxybiphenyl-3,3'-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

Gentisic acid490-79-969 % similar 4-Hydroxyisophthalic acid636-46-469 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-067 % similar 2,5-Dihydroxyterephthalic acid610-92-465 % similar 5-Iodosalicylic acid119-30-265 % similar 5,5'-Methylenedisalicylic acid122-25-865 % similar Olsalazine15722-48-265 % similar 5-Chlorosalicylic acid321-14-265 % similar

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

Same formula

Bellidifolin2798-25-6 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-2

Elsewhere

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