chempirical

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

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)

Weigh it out

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

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 4-Hydroxyphthalic acid610-35-557 % similar 4-Methylphthalic acid4316-23-855 % similar 4-Aminophthalic acid5434-21-955 % similar 4-Bromophthalic acid6968-28-155 % similar 4-Hydroxyisophthalic acid636-46-453 % similar

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

Elsewhere

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