5-Ethylchrysene
Basic information
- CAS
54986-62-8- Standard SMILES
CCc1cc2ccccc2c2ccc3ccccc3c12- InChIKey
ORJZWFYYEFBNFP-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 5-Ethylchrysene
- IUPAC
- 5-ethylchrysene
Names & synonyms
5-EthylchryseneChrysene, 5-ethyl-54986-62-85-Ethylchrysene #SCHEMBL7794322DTXSID00970335ORJZWFYYEFBNFP-UHFFFAOYSA-N
Database identifiers
- CAS
54986-62-8- PubChem CID
- 94572
- DTXSID
DTXSID00970335- Nikkaji
- J586.289B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
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Related reactions
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Compound notes
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