Ethyl 4,4-dinitrovalerate
Basic information
- CAS
6921-11-5- Standard SMILES
CCOC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
GERAAQRTSQGECN-UHFFFAOYSA-N- Molecular formula
- C7H12N2O6
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.06953611
Names & identifiers
- Preferred name
- Ethyl 4,4-dinitrovalerate
- IUPAC
- ethyl 4,4-dinitropentanoate
- English name
- 4,4-Dinitropentanoic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
ethyl 4,4-dinitropentanoateEthyl 4,4-dinitrovalerate6921-11-54,4-Dinitropentanoic acid ethyl esterMHV2CSX337SCHEMBL2219648DTXSID80219239GERAAQRTSQGECN-UHFFFAOYSA-NEINECS 230-033-8Valeric acid, 4,4-dinitro-, ethyl esterPentanoic acid, 4,4-dinitro-, ethyl esterNS00044078
Database identifiers
- CAS
6921-11-5- PubChem CID
- 81333
- DTXSID
DTXSID80219239- UNII
- MHV2CSX337
- EC Number
- 230-033-8
- Nikkaji
- J265.957C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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