1H-Benz(de)anthracen-1-one

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Basic information

CAS: 86853-88-5
Standard SMILES: O=C1C=Cc2cccc3cc4ccccc4c1c23
InChIKey: SJCPQBRQOOJBFM-UHFFFAOYSA-N
Molecular formula: C17H10O
Average molar mass: 230.26 g/mol
Monoisotopic mass: 230.07316494

Names & identifiers

Preferred name: 1H-Benz(de)anthracen-1-one
IUPAC: benzo[a]phenalen-1-one

Names & synonyms

1H-BENZ(DE)ANTHRACEN-1-ONE86853-88-5DTXSID90235864RefChem:237408DTXCID20158355benzophenalenone1H-benzo[de]anthracen-1-oneSCHEMBL6503129SCHEMBL29358751

Database identifiers

CAS: 86853-88-5
PubChem CID: 55570
DTXSID: DTXSID90235864
Nikkaji: J1.596.407C

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 383

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Compound notes

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