Basic information
- CAS
63041-88-3- Standard SMILES
Cc1c2ccccc2c2c3c1ccc1cccc(c13)C2- InChIKey
IJAOHUABITVDOH-UHFFFAOYSA-N- Molecular formula
- C20H14
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.10955045
Names & identifiers
- Preferred name
- 11H-Benz(bc)aceanthrylene, 6-methyl-
- IUPAC
- 8-methylpentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaene
- English name
- 6-Methyl-11H-benz[bc]aceanthrylene
- Molecular formula
- C20H14
- Molecular weight
- 254.33
Names & synonyms
11H-Benz(bc)aceanthrylene, 6-methyl-63041-88-3BRN 313475410-Methyl-1',9-methylene-1,2-benzanthracene6-Methyl-11H-benz[bc]aceanthryleneDTXSID002123686-methyl-11H-cyclopenta[pqr]tetrapheneDB-21988811H-Benz[bc]aceanthrylene, 6-methyl-
Database identifiers
- CAS
63041-88-3- PubChem CID
- 112985
- DTXSID
DTXSID00212368- Nikkaji
- J57.910F
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 332.54 °C · 332.54°C (rough estimate)
- Density
- 1.118 · 1.1180 (estimate)
- refractive index
- 1.704 · 1.7040 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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