chempirical

2-Anthraquinonecarboxylic acid

C15H8O4CAS 117-78-2252.22 g/mol

Open in Covalent MOL file
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Carboxylic acidKetone

Properties

Molecular formula
C15H8O4
Molar mass
252.22 g/mol
Exact mass
252.0423 Da
Melting point
291 °C
logP
2.16Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
117-78-2
SMILES
O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
ASDLSKCKYGVMAI-UHFFFAOYSA-N
InChI
InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)

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Names and synonyms

10 names
  • 2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo-
  • 2-Anthroic acid, 9,10-dihydro-9,10-dioxo-
  • 9,10-Dihydro-9,10-dioxo-2-anthracenecarboxylic acid
  • 2-Carboxy-9,10-anthraquinone
  • β-Anthraquinonecarboxylic acid
  • 2-Carboxyanthraquinone
  • 9,10-Dioxoanthracene-2-carboxylic acid
  • 9,10-Anthraquinone-2-carboxylic acid
  • NSC 5001
  • 9,10-Dioxo-9,10-dihydro-2-anthracenecarboxylic acid

Work with 2-Anthraquinonecarboxylic 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 acid528-44-963 % similar Benzophenonetetracarboxylic acid2479-49-459 % similar 2-Benzoylbenzoic acid85-52-958 % similar 4-Benzoylbenzoic acid611-95-056 % similar 2-(4-Hydroxybenzoyl)benzoic acid85-57-456 % similar 2-Hydroxyanthraquinone605-32-355 % similar Trimellitic anhydride552-30-754 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-554 % similar

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

Elsewhere

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