Basic information
- CAS
132342-17-7- Standard SMILES
Cc1ccc2cc3c(ccc4ccccc43)c3c2c1[C@@H](O)[C@@H]3O- InChIKey
MSPGUHVGYWHMPY-NHCUHLMSSA-N- Molecular formula
- C21H16O2
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.11502975
Names & identifiers
- Preferred name
- Benz(j)aceanthrylene-1,2-diol, 1,2-dihydro-3-methyl-, trans-
- IUPAC
- (1R,2R)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
- English name
- Benz(J)aceanthrylene-1,2-diol, 1,2-dihydro-3-methyl-, (1R-trans)-
- Molecular formula
- C21H16O2
- Molecular weight
- 300.35054
Names & synonyms
132342-17-7Benz(j)aceanthrylene-1,2-diol, 1,2-dihydro-3-methyl-, trans-3343-00-8trans-1,2-Dihydroxy-3-methylcholanthreneDTXSID80927640trans-1,2-Dihydro-3-methylbenz(j)aceanthrylene-1,2-diol(1R,2R)-3-Methyl-1,2-dihydrobenzo{j)aceanthrylene-1,2-diolBenz(j)aceanthrylene-1,2-diol, 1,2-dihydro-3-methyl-, (1R-trans)-3-Methyl-1,2-dihydrocyclopenta[ij]tetraphene-1,2-diol(1R,2R)-3-Methyl-1,2-dihydrocyclopenta[ij]tetraphene-1,2-diol
Database identifiers
- CAS
132342-17-7、3343-00-8- PubChem CID
- 183103
- DTXSID
DTXSID80927640- Nikkaji
- J356.082A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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