4'-Methyl-4-biphenylcarboxylic acid

C₁₄H₁₂O₂CAS 720-73-0212.25 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₄H₁₂O₂
Molar mass: 212.25 g/mol
Exact mass: 212.0837 Da
logP: 3.36Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

720-73-0

SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChIKey

RZOCCLOTCXINRG-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-9H,1H3,(H,15,16)

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Names and synonyms

1 names

4'-Methylbiphenyl-4-carboxylic acid

Work with 4'-Methyl-4-biphenylcarboxylic 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-Toluic acid99-94-588 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-475 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-275 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-267 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-267 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-167 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-267 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphenylacetic acid117-34-0 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 Benzyl benzoate120-51-4 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 4'-Methylbiphenyl-3-carboxylic acid147404-69-1

Elsewhere

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