1-Methyl-4H-cyclopenta(def)phenanthren-4-one

HCID 152170

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Basic information

CAS: 98096-09-4
Standard SMILES: Cc1ccc2c(=O)c3cccc4ccc1c2c43
InChIKey: MAZHGXTWGYTTRS-UHFFFAOYSA-N
Molecular formula: C16H10O
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.07316494

Names & identifiers

Preferred name: 1-Methyl-4H-cyclopenta(def)phenanthren-4-one
IUPAC: 4-methyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-one

Names & synonyms

1-Methyl-4H-cyclopenta(def)phenanthren-4-oneCCRIS 58009C7PU499XU98096-09-4DTXSID402434391-methyl-4H-cyclopenta[def]phenanthren-4-one7-METHYL-4H-CYCLOPENTA(DEF)PHENANTHREN-4-ONE4H-CYCLOPENTA(DEF)PHENANTHREN-4-ONE, 7-METHYL-4-METHYLTETRACYCLO(10.2.1.05,14.08,13)PENTADECA-1(14),2,4,6,8(13),9,11-HEPTAEN-15-ONERefChem:76334DTXCID90165930UNII-9C7PU499XU

Database identifiers

CAS: 98096-09-4
PubChem CID: 152170
DTXSID: DTXSID40243439
UNII: 9C7PU499XU

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 347

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