[1,1′-Biphenyl]-4,4′-dicarboxylic acid

C14H10O4CAS 787-70-2242.23 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C14H10O4
Molar mass
242.23 g/mol
Exact mass
242.0579 Da
Melting point
above 300 °C (decomposes)
logP
2.75Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
787-70-2
SMILES
O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIKey
NEQFBGHQPUXOFH-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)

Weigh it out

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

Names and synonyms

9 names
  • 4,4′-Biphenyldicarboxylic acid
  • 4,4′-Bibenzoic acid
  • 4,4′-Dicarboxybiphenyl
  • p,p′-Diphenic acid
  • 4,4′-Diphenic acid
  • 4,4′-Diphenyldicarboxylic acid
  • NSC 60016
  • 4BPA
  • (1,1'-Biphenyl)-4,4'-dicarboxylic acid

Work with [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

[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-4100 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-286 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-286 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-186 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-286 % similar Terephthalic acid100-21-083 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-282 % similar 4'-Hydroxy-4-biphenylcarboxylic acid58574-03-178 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Anthracene-1,4,9,10-tetraol476-60-8 Diphenic acid482-05-3 2-(4-Hydroxybenzoyl)benzoic acid85-57-4 Benzoyl peroxide94-36-0

Elsewhere

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