2H-Indeno(2,1-c)pyridazine-3,9-dione

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Basic information

CAS: 100595-21-9
Standard SMILES: O=C1c2ccccc2-c2cc(=O)[nH]nc21
InChIKey: ZYICMRFRKSZKCP-UHFFFAOYSA-N
Molecular formula: C11H6N2O2
Average molar mass: 198.18 g/mol
Monoisotopic mass: 198.04292744

Names & identifiers

Preferred name: 2H-Indeno(2,1-c)pyridazine-3,9-dione
IUPAC: 2H-indeno[2,1-c]pyridazine-3,9-dione

Names & synonyms

2H-indeno[2,1-c]pyridazine-3,9-dione100595-21-92H-Indeno(2,1-c)pyridazine-3,9-dione3,9-Dioxo-2H-indeno(2,1-c)pyridazine9-Oxo-indeno(2,1-c)-3(2H)-pyridazinoneDTXSID30143414RefChem:268673DTXCID8065905

Database identifiers

CAS: 100595-21-9
PubChem CID: 3063373
DTXSID: DTXSID30143414

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 58.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 409

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Compound notes

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