4,5-Dimethylchrysene
Basic information
- CAS
63019-23-8- Standard SMILES
Cc1cccc2ccc3c4ccccc4cc(C)c3c12- InChIKey
MMIZVWRHOOBBSL-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 4,5-Dimethylchrysene
- IUPAC
- 4,5-dimethylchrysene
Names & synonyms
4,5-DimethylchryseneCHRYSENE, 4,5-DIMETHYL-63019-23-8BRN 3276697SCHEMBL10624516DTXSID40212261
Database identifiers
- CAS
63019-23-8- PubChem CID
- 44279
- DTXSID
DTXSID40212261- Nikkaji
- J92.339G
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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