Basic information
- CAS
41002-50-0- Standard SMILES
CC(=O)C=C(C)OC(C)=O- InChIKey
LBQVXEZJUOFPFA-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Names & identifiers
- Preferred name
- 4-(Acetyloxy)-3-penten-2-one
- IUPAC
- 4-oxopent-2-en-2-yl acetate
Names & synonyms
4-(Acetyloxy)-3-penten-2-one41002-50-0RefChem:2884284-oxopent-2-en-2-yl acetateDTXSID301308652AKOS024333079NS00056451
Database identifiers
- CAS
41002-50-0- PubChem CID
- 95181
- DTXSID
DTXSID301308652- EC Number
- 255-172-1
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 179
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 3-Penten-2-one, 4-(acetyloxy)-
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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