Basic information
- CAS
9998-90-7- Standard SMILES
CC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]- InChIKey
VFYJJUJAMGWQOS-UHFFFAOYSA-N- Molecular formula
- C4H5N3O8
- Average molar mass
- 223.1 g/mol
- Monoisotopic mass
- 223.00766413
Names & identifiers
- Preferred name
- 2,2,2-Trinitroethanol acetate
- IUPAC
- 2,2,2-trinitroethyl acetate
Names & synonyms
2,2,2-Trinitroethanol acetate9998-90-7DTXSID60244367RefChem:242565DTXCID601668582,2,2-trinitroethyl acetate2,2,2-Trinitroethanol-acetate
Database identifiers
- CAS
9998-90-7- PubChem CID
- 139076
- DTXSID
DTXSID60244367- Nikkaji
- J339.543J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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