(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

Hazards

Warning
Irritant (GHS07)

Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

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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Names and synonyms

11 names
  • [1,1′-Biphenyl]-4-carboxylic acid
  • 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

[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-482 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-282 % similar Benzoic acid65-85-074 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-272 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-272 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-172 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-272 % similar 4-(1,2,2-Triphenyl vinyl)benzoic acid197153-87-069 % 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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