5,8-Dihydro-6-hydroxy-5,8-dioxo-7-quinolinecarbonitrile

HCID 149148

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Basic information

CAS: 102072-69-5
Standard SMILES: N#CC1=C(O)c2ncccc2C(=O)C1=O
InChIKey: SGMUFINKQNDAAE-UHFFFAOYSA-N
Molecular formula: C10H4N2O3
Average molar mass: 200.15 g/mol
Monoisotopic mass: 200.02219199

Names & identifiers

Preferred name: 5,8-Dihydro-6-hydroxy-5,8-dioxo-7-quinolinecarbonitrile
IUPAC: 8-hydroxy-5,6-dioxoquinoline-7-carbonitrile

Names & synonyms

102072-69-55,8-Dihydro-6-hydroxy-5,8-dioxo-7-quinolinecarbonitrileDTXSID809070687-Quinolinecarbonitrile, 5,8-dihydro-6-hydroxy-5,8-dioxo-8-hydroxy-5,6-dioxo-5,6-dihydroquinoline-7-carbonitrile

Database identifiers

CAS: 102072-69-5
PubChem CID: 149148
DTXSID: DTXSID80907068

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 91.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 416

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