Ethyl 7-oxohept-2-enoate
Basic information
- CAS
67081-18-9- Standard SMILES
CCOC(=O)C=CCCCC=O- InChIKey
PCWFTLPHDUBEJX-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- Ethyl 7-oxohept-2-enoate
- IUPAC
- ethyl 7-oxohept-2-enoate
Names & synonyms
Ethyl 7-oxohept-2-enoate67081-18-92-Heptenoic acid, 7-oxo-, ethyl ester, (2E)-DTXSID20411634
Database identifiers
- CAS
67081-18-9- PubChem CID
- 5228718
- DTXSID
DTXSID20411634
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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