2-Anthraquinonecarboxylic acid

C₁₅H₈O₄CAS 117-78-2252.22 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H341 Suspected of causing genetic defects66.7% of notifiers
H351 Suspected of causing cancer66.7% of notifiers
H361 Suspected of damaging fertility or the unborn child66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

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)

Weigh it out

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

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

Fluorenone-2-carboxylic acid784-50-973 % similar 9-Fluorenone-2,7-dicarboxylic acid792-26-768 % similar Trimellitic acid528-44-963 % similar Benzophenonetetracarboxylic acid2479-49-459 % similar 2-Benzoylbenzoic acid85-52-958 % similar 4-Benzoylbenzoic acid611-95-056 % similar 3-Benzoylbenzoic acid579-18-056 % similar 2-(4-Hydroxybenzoyl)benzoic acid85-57-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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