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

C16H10O8CAS 22803-05-0330.25 g/mol

Open in Covalent MOL file
OHOOOHOOHOHO
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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-667 % similar 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid1799740-97-867 % similar 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-267 % similar Trimellitic acid528-44-965 % similar 3,3'-Dimercapto-[1,1'-biphenyl]-4,4'-dicarboxylic acid343228-20-664 % similar Pyromellitic acid89-05-464 % similar 4-Hydroxyphthalic acid610-35-563 % similar Benzophenonetetracarboxylic acid2479-49-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3′-Di-O-methylellagic acid2239-88-5 Biphenyl-3,3',5,5'-tetracarboxylic acid4371-28-2

Elsewhere

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