chempirical

3,3′,4,4′-Biphenyltetracarboxylic acid

C16H10O8CAS 22803-05-0330.25 g/mol

Open in Covalent MOL file
OHOOOHOOHOOH
Carboxylic acid

Properties

Molecular formula
C16H10O8
Molar mass
330.25 g/mol
Exact mass
330.0376 Da
Melting point
280 °C
logP
2.15Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
22803-05-0
SMILES
O=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O
InChIKey
LFBALUPVVFCEPA-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

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Names and synonyms

2 names
  • [1,1′-Biphenyl]-3,3′,4,4′-tetracarboxylic acid
  • 3,4,3′,4′-Biphenyltetracarboxylic acid

Work with 3,3′,4,4′-Biphenyltetracarboxylic 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

Trimellitic acid528-44-965 % similar 4-Hydroxyphthalic acid610-35-563 % similar Benzophenonetetracarboxylic acid2479-49-461 % similar 4-Methylphthalic acid4316-23-861 % similar 4-Aminophthalic acid5434-21-961 % similar 4-Bromophthalic acid6968-28-161 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-258 % similar Phthalic acid88-99-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,3′-Di-O-methylellagic acid2239-88-5

Elsewhere

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