[P-Terphenyl]-4,4''-dicarboxylic acid

C₂₀H₁₄O₄CAS 13653-84-4318.33 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₀H₁₄O₄
Molar mass: 318.33 g/mol
Exact mass: 318.0892 Da
logP: 4.42Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

13653-84-4

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChIKey

FZTIWOBQQYPTCJ-UHFFFAOYSA-N

InChI

InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)

Weigh it out

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

Names and synonyms

1 names

p-Terphenyl-4,4''-dicarboxylic acid

Work with [P-Terphenyl]-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

[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-2100 % 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

1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-4 4,6-Dibenzoylresorcinol3088-15-1 Diphenyl isophthalate744-45-6 Phenolphthalein77-09-8 2-[(6-Hydroxy[1,1′-biphenyl]-3-yl)carbonyl]benzoic acid84627-04-3 Diphenyl phthalate84-62-8 1,3-Phenylene dibenzoate94-01-9

Elsewhere

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