Ethyl 4-oxohex-2-enoate
Basic information
- CAS
61454-94-2- Standard SMILES
CCOC(=O)C=CC(=O)CC- InChIKey
SSJIXKNIALTVDP-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- Ethyl 4-oxohex-2-enoate
- IUPAC
- ethyl 4-oxohex-2-enoate
Names & synonyms
4-Oxo-2-hexenoic acid, ethyl ester61454-94-2ethyl 4-oxo-2-hexenoateETHYL 4-OXOHEX-2-ENOATEDTXSID601016228
Database identifiers
- CAS
61454-94-2- PubChem CID
- 581192
- DTXSID
DTXSID601016228
Properties
Computed structural properties
- XLogP
- 0.9
- 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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