Basic information
- CAS
111238-24-5- Standard SMILES
Cc1c2cccc3c2c(c2ccc4c(c12)C=C[C@H](O)[C@H]4O)CC3- InChIKey
DLHHAHJWZAWNQY-RXVVDRJESA-N- Molecular formula
- C21H18O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.13067981
Names & identifiers
- Preferred name
- Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, trans-
- IUPAC
- (9S,10S)-6-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
Names & synonyms
Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, trans-111238-24-5DTXSID00149564(9S,10S)-6-Methyl-1,2,9,10-tetrahydrocyclopenta[ij]tetraphene-9,10-diol
Database identifiers
- CAS
111238-24-5- PubChem CID
- 183237
- DTXSID
DTXSID00149564
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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