methyl (2S,3R)-3-propyl-2-oxiranecarboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
107796-99-6- Standard SMILES
CCC[C@H]1O[C@@H]1C(=O)OC- InChIKey
JPMVTOZOWGPQDC-RITPCOANSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
Names & identifiers
- Preferred name
- methyl (2S,3R)-3-propyl-2-oxiranecarboxylate
- IUPAC
- methyl (2S,3R)-3-propyloxirane-2-carboxylate
- English name
- Oxiranecarboxylic acid, 3-propyl-, methyl ester, (2S-trans)- (9CI)
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
107796-99-6METHYL (2S,3R)-3-PROPYLOXIRANE-2-CARBOXYLATEOxiranecarboxylic acid, 3-propyl-, methyl ester, (2S-trans)- (9CI)methyl (2S,3R)-3-propyl-2-oxiranecarboxylateSCHEMBL13046121JPMVTOZOWGPQDC-RITPCOANSA-N2-Oxiranecarboxylic acid, 3-propyl-, methyl ester, (2S,3R)-
Database identifiers
- CAS
107796-99-6- Nikkaji
- J1.066.864F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 162.1 · 162.1±15.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…