1-Methyl-4H-cyclopenta(def)phenanthrene
Basic information
- CAS
98090-89-2- Standard SMILES
Cc1ccc2c3c1ccc1cccc(c13)C2- InChIKey
BXCZPBRYAKLJTN-UHFFFAOYSA-N- Molecular formula
- C16H12
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.09390038
Names & identifiers
- Preferred name
- 1-Methyl-4H-cyclopenta(def)phenanthrene
- IUPAC
- 4-methyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
Names & synonyms
CCRIS 57991-Methyl-4H-cyclopenta(def)phenanthrene1-Methyl-4H-cyclopenta[def]phenanthrene98090-89-2DTXSID80243433RefChem:231898DTXCID80165924AJA3E69GVAmethyl-4h-cyclopenta[def]phenanthrene4H-Cyclopenta[def]phenanthrene, 1-methyl-
Database identifiers
- CAS
98090-89-2- PubChem CID
- 152169
- DTXSID
DTXSID80243433- UNII
- AJA3E69GVA
- Nikkaji
- J1.546.776B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
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Related reactions
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Compound notes
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