Basic information
- CAS
88031-98-5- Standard SMILES
C=CC(C)(C=O)OC(C)=O- InChIKey
PVVRUWASPMJSHJ-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Names & identifiers
- Preferred name
- 2-Methyl-1-oxobut-3-en-2-yl acetate
- IUPAC
- (2-methyl-1-oxobut-3-en-2-yl) acetate
Names & synonyms
88031-98-52-Methyl-1-oxobut-3-en-2-yl acetateSCHEMBL8565712DTXSID50530564
Database identifiers
- CAS
88031-98-5- PubChem CID
- 13232118
- DTXSID
DTXSID50530564
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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