2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
Basic information
- CAS
17390-07-7- Standard SMILES
O=C1CCN2CCCC12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
HMXOCEBEADFWJP-UHFFFAOYSA-N- Molecular formula
- C13H14N4O8
- Average molar mass
- 354.27 g/mol
- Monoisotopic mass
- 354.08116342
Names & identifiers
- Preferred name
- 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
- IUPAC
- 2,3,5,6,7,8-hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
Names & synonyms
NSC68033317390-07-7CHEMBL2006021DTXSID90327718NSC-680333NCI60_0286502,3,5,6,7,8-hexahydropyrrolizin-1-one; picric acidHexahydro-1H-pyrrolizin-1-one--2,4,6-trinitrophenol (1/1)Hexahydro-1H-pyrrolizin-1-one compound with 2,4,6-tris(hydroxy(oxido)amino)phenol (1:1)
Database identifiers
- CAS
17390-07-7- PubChem CID
- 387012
- DTXSID
DTXSID90327718- ChEMBL
CHEMBL2006021
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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