chempirical

[1,1′-Biphenyl]-4-carboxylic acid

C13H10O2CAS 92-92-2198.22 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C13H10O2
Molar mass
198.22 g/mol
Exact mass
198.0681 Da
Melting point
228 °C
logP
3.05Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
92-92-2
SMILES
O=C(O)c1ccc(-c2ccccc2)cc1
InChIKey
NNJMFJSKMRYHSR-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 4-Biphenylcarboxylic acid
  • Benzoic acid, p-phenyl-
  • p-Phenylbenzoic acid
  • 4-Carboxybiphenyl
  • 4-Diphenylcarboxylic acid
  • 4-Phenylbenzoic acid
  • 4-Carboxy-1,1′-biphenyl
  • 4-Biphenylylcarboxylic acid
  • p-Biphenylcarboxylic acid
  • NSC 23040

Work with [1,1′-Biphenyl]-4-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

[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-282 % similar Benzoic acid65-85-074 % similar Terephthalic acid100-21-068 % similar 4-Benzoylbenzoic acid611-95-067 % similar Ammonium benzoate1863-63-465 % similar 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-365 % similar 4′,4′′′,4′′′′′-Nitrilotris[[1,1′-biphenyl]-4-carboxylic acid]1239602-35-764 % similar 4-Phenoxybenzoic acid2215-77-264 % similar

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

Same formula

4-Hydroxybenzophenone1137-42-4 2-Hydroxybenzophenone117-99-7 3-Hydroxybenzophenone13020-57-0 3-(1-Naphthalenyl)-2-propenoic acid13026-12-5 2-Phenoxybenzaldehyde19434-34-5 3-Phenoxybenzaldehyde39515-51-0 4-Phenoxybenzaldehyde67-36-7 [1,1′-Biphenyl]-3-carboxylic acid716-76-7

Elsewhere

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