Basic information
- CAS
5917-69-1- Standard SMILES
CC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
VNEVTBQGNLOSNA-UHFFFAOYSA-N- Molecular formula
- C5H8N2O6
- Average molar mass
- 192.13 g/mol
- Monoisotopic mass
- 192.03823598
Names & identifiers
- Preferred name
- 2,2-Dinitropropyl acetate
- IUPAC
- 2,2-dinitropropyl acetate
Names & synonyms
2,2-dinitropropyl acetate5917-69-1NSC166460DTXSID30304609NSC-166460
Database identifiers
- CAS
5917-69-1- PubChem CID
- 296362
- DTXSID
DTXSID30304609- Nikkaji
- J339.544H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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