2-[[(2R,3S)-3-formyloxiran-2-yl]methyl]propanedinitrile
Basic information
- CAS
167170-91-4- Standard SMILES
N#CC(C#N)C[C@H]1O[C@@H]1C=O- InChIKey
XWGKHPJRKAGDPY-RNFRBKRXSA-N- Molecular formula
- C7H6N2O2
- Average molar mass
- 150.13 g/mol
Names & identifiers
- Preferred name
- 2-[[(2R,3S)-3-formyloxiran-2-yl]methyl]propanedinitrile
- IUPAC
- 2-[[(2R,3S)-3-formyloxiran-2-yl]methyl]propanedinitrile
- English name
- Propanedinitrile, [(3-formyloxiranyl)methyl]-, trans- (9CI)
- Molecular formula
- C7H6N2O2
- Molecular weight
- 150.13
Names & synonyms
167170-91-4Propanedinitrile, [(3-formyloxiranyl)methyl]-, trans- (9CI)
Database identifiers
- CAS
167170-91-4
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 240
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Compound notes
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