Basic information
- CAS
3918-78-3- Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].c1cc2ccc3cccc4ccc(c1)c2c34- InChIKey
SIGROPCIDIOMCL-UHFFFAOYSA-N- Molecular formula
- C29H15N3O7
- Average molar mass
- 517.4 g/mol
- Monoisotopic mass
- 517.09099983
Names & identifiers
- Preferred name
- Pyrene; 2,4,7-trinitrofluoren-9-one
- IUPAC
- pyrene;2,4,7-trinitrofluoren-9-one
Names & synonyms
3918-78-3pyrene; 2,4,7-trinitrofluoren-9-oneNSC408561DTXSID80325081NSC-4085612,4,7-Trinitro-9H-fluoren-9-one--pyrene (1/1)
Database identifiers
- CAS
3918-78-3- PubChem CID
- 349014
- DTXSID
DTXSID80325081
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 781
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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