1-(3-Acetyl-2,3-dimethyloxiran-2-yl)propan-2-one
Basic information
- CAS
152700-31-7- Standard SMILES
CC(=O)CC1(C)OC1(C)C(C)=O- InChIKey
HNRGUKAXAKYPRP-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
Names & identifiers
- Preferred name
- 1-(3-Acetyl-2,3-dimethyloxiran-2-yl)propan-2-one
- IUPAC
- 1-(3-acetyl-2,3-dimethyloxiran-2-yl)propan-2-one
- English name
- 2-Propanone, 1-(3-acetyl-2,3-dimethyloxiranyl)- (9CI)
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
152700-31-7DB-2822452-PROPANONE, 1-(3-ACETYL-2,3-DIMETHYLOXIRANYL)-2-Propanone, 1-(3-acetyl-2,3-dimethyloxiranyl)- (9CI)
Database identifiers
- CAS
152700-31-7
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 240.1 · 240.1±25.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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