Basic information
- CAS
84249-61-6- Standard SMILES
Cc1cc2ccccc2c2c(CO)cc3ccccc3c12- InChIKey
UPLRVHWMZFGYGK-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- (11-Methylchrysen-5-yl)methanol
- IUPAC
- (11-methylchrysen-5-yl)methanol
Names & synonyms
84249-61-6(11-methylchrysen-5-yl)methanol5-Chrysenemethanol, 11-methyl-DTXSID301004496
Database identifiers
- CAS
84249-61-6- PubChem CID
- 190063
- DTXSID
DTXSID301004496
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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