(2R,3S)-2-ethyl-2-nitro-3-propan-2-yloxirane
Basic information
- CAS
134964-67-3- Standard SMILES
CC[C@@]1([N+](=O)[O-])O[C@H]1C(C)C- InChIKey
DZOYTVMSKVRYAV-NKWVEPMBSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-2-ethyl-2-nitro-3-propan-2-yloxirane
- IUPAC
- (2R,3S)-2-ethyl-2-nitro-3-propan-2-yloxirane
- English name
- Oxirane, 2-ethyl-3-(1-methylethyl)-2-nitro-, trans- (9CI)
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18
Names & synonyms
Oxirane, 2-ethyl-3-(1-methylethyl)-2-nitro-, (2R,3S)-rel-Oxirane, 2-ethyl-3-(1-methylethyl)-2-nitro-, trans- (9CI)
Database identifiers
- CAS
134964-67-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 216.2 · 216.2±29.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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