1,2-Chrysenediol, 6-nitro-
Basic information
- CAS
91828-73-8- Standard SMILES
O=[N+]([O-])c1cc2c3ccc(O)c(O)c3ccc2c2ccccc12- InChIKey
DJHBTWASUWDWGB-UHFFFAOYSA-N- Molecular formula
- C18H11NO4
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 305.06880783
Names & identifiers
- Preferred name
- 1,2-Chrysenediol, 6-nitro-
- IUPAC
- 6-nitrochrysene-1,2-diol
Names & synonyms
1,2-Chrysenediol, 6-nitro-91828-73-86-Nitro-1,2-chrysenediol6-nitrochrysene-1,2-diolDTXSID20238707
Database identifiers
- CAS
91828-73-8- PubChem CID
- 5488154
- DTXSID
DTXSID20238707
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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