Basic information
- CAS
105822-91-1- Standard SMILES
Cc1c([N+](=O)[O-])c2ccccc2c2ccc3c(c12)C=C[C@@H](O)[C@@H]3O- InChIKey
KROBPMACIQRBPC-VQIMIIECSA-N- Molecular formula
- C19H15NO4
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.10010796
Names & identifiers
- Preferred name
- (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol
- IUPAC
- (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol
Names & synonyms
105822-91-11,2-Chrysenediol, 1,2-dihydro-5-methyl-6-nitro-, trans-1,2-Dihydro-5-methyl-6-nitro-1,2-chrysenediol trans-(1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diolDTXSID909097555-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol
Database identifiers
- CAS
105822-91-1- PubChem CID
- 149707
- DTXSID
DTXSID90909755
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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