2-Pentanone, 4-(acetyloxy)-
Basic information
- CAS
55577-75-8- Standard SMILES
CC(=O)CC(C)OC(C)=O- InChIKey
FTFUBYBSJNACIC-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 2-Pentanone, 4-(acetyloxy)-
- IUPAC
- 4-oxopentan-2-yl acetate
Names & synonyms
2-Pentanone, 4-(acetyloxy)-55577-75-8DTXSID30274510RefChem:264993DTXCID502259834-oxopentan-2-yl acetateSCHEMBL7249516
Database identifiers
- CAS
55577-75-8- PubChem CID
- 10950
- DTXSID
DTXSID30274510- Nikkaji
- J461.029F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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