Basic information
- CAS
153431-53-9- Standard SMILES
CC[C@@H]1O[C@@]1(C#N)C(=O)OC- InChIKey
XSYALASIPOUFRN-CAHLUQPWSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Names & identifiers
- Preferred name
- methyl (2R,3S)-2-cyano-3-ethyloxirane-2-carboxylate
- IUPAC
- methyl (2R,3S)-2-cyano-3-ethyloxirane-2-carboxylate
- English name
- threo-Pentonic acid, 2,3-anhydro-2-C-cyano-4,5-dideoxy-, methyl ester (9CI)
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
threo-Pentonic acid, 2,3-anhydro-2-C-cyano-4,5-dideoxy-, methyl esterthreo-Pentonic acid, 2,3-anhydro-2-C-cyano-4,5-dideoxy-, methyl ester (9CI)
Database identifiers
- CAS
153431-53-9- PubChem CID
- 131848872
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 236.9 · 236.9±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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