Benzophenonetetracarboxylic acid

C17H10O9CAS 2479-49-4358.26 g/mol

Open in Covalent MOL file
OOOHOOHOHOOHO
Carboxylic acidKetone

Properties

Molecular formula
C17H10O9
Molar mass
358.26 g/mol
Exact mass
358.0325 Da
Melting point
224 °C
logP
1.71Crippen estimate
Polar surface area
166.3 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
2479-49-4
SMILES
O=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(C(=O)O)c(C(=O)O)c1
InChIKey
UITKHKNFVCYWNG-UHFFFAOYSA-N
InChI
InChI=1S/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)

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Names and synonyms

6 names
  • 1,2-Benzenedicarboxylic acid, 4,4′-carbonylbis-
  • Phthalic acid, 4,4′-carbonyldi-
  • 4,4′-Carbonylbis[1,2-benzenedicarboxylic acid]
  • 3,3′,4,4′-Benzophenonetetracarboxylic acid
  • 4,4′-Carbonyldiphthalic acid
  • 3,3′,4,4′-Tetracarboxybenzophenone

Work with Benzophenonetetracarboxylic 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 acid528-44-977 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-061 % similar 2-Anthraquinonecarboxylic acid117-78-259 % similar 9-Fluorenone-2,7-dicarboxylic acid792-26-758 % similar 4-Hydroxyphthalic acid610-35-557 % similar Pyromellitic acid89-05-456 % similar 4-Fluorophthalic acid320-97-855 % similar 4-Methylphthalic acid4316-23-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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