Basic information
- CAS
91254-95-4- Standard SMILES
O=[N+]([O-])c1ccc2ccc3cccc4c3c2c1[C@H](O)[C@@H]4O- InChIKey
UERICTZYIDOLBM-CVEARBPZSA-N- Molecular formula
- C16H11NO4
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.06880783
Names & identifiers
- Preferred name
- 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-
- IUPAC
- (4S,5R)-3-nitro-4,5-dihydropyrene-4,5-diol
Names & synonyms
4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-91254-95-4(4S,5R)-3-nitro-4,5-dihydropyrene-4,5-diolDTXSID00238462
Database identifiers
- CAS
91254-95-4- PubChem CID
- 185098
- DTXSID
DTXSID00238462
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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