Basic information
- CAS
21994-75-2- Standard SMILES
CCCC=CCC(=O)OCC- InChIKey
MOTXKEQQXJIDHO-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 3-Heptenoic acid, ethyl ester
- IUPAC
- ethyl hept-3-enoate
Names & synonyms
3-Heptenoic acid, ethyl esterETHYL HEPT-3-ENOATE21994-75-2SCHEMBL10892994DTXSID50336422
Database identifiers
- CAS
21994-75-2- PubChem CID
- 533698
- DTXSID
DTXSID50336422
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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