Basic information
- CAS
64354-14-9- Standard SMILES
CCCCCC/C=C(\C(C)=O)C(=O)OCC- InChIKey
KZQPCBQSLCLWQU-ZRDIBKRKSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- Ethyl 2-acetylnon-2-enoate
- IUPAC
- ethyl (E)-2-acetylnon-2-enoate
Names & synonyms
Ethyl 2-acetylnon-2-enoate64354-14-9EINECS 264-839-62-Nonenoic acid, 2-acetyl-, ethyl esterSCHEMBL11726309KZQPCBQSLCLWQU-ZRDIBKRKSA-N
Database identifiers
- CAS
64354-14-9- PubChem CID
- 6509792
- EC Number
- 264-839-6
- Nikkaji
- J307.212F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…