chempirical

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

C20H14O4CAS 13653-84-4318.33 g/mol

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OHOOOH
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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

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)

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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 Terephthalic acid100-21-083 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-282 % similar 4′,4′′′,4′′′′′-Nitrilotris[[1,1′-biphenyl]-4-carboxylic acid]1239602-35-775 % similar 4-(4-Pyridyl)benzoic acid4385-76-675 % similar 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene1078153-58-874 % similar 4,4′-Oxybis[benzoic acid]2215-89-665 % similar 4-Hydroxybenzoic acid99-96-765 % 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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