1-Methylethyl 3-oxo-4-pentenoate
Basic information
- CAS
122763-68-2- Standard SMILES
C=CC(=O)CC(=O)OC(C)C- InChIKey
UAWZSWASSUSUOF-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 1-Methylethyl 3-oxo-4-pentenoate
- IUPAC
- propan-2-yl 3-oxopent-4-enoate
Names & synonyms
Propan-2-yl 3-oxopent-4-enoate1-Methylethyl 3-oxo-4-pentenoateDTXSID601301100122763-68-2
Database identifiers
- CAS
122763-68-2- PubChem CID
- 85599335
- DTXSID
DTXSID601301100
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
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Compound notes
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