Basic information
- Standard SMILES
CC=CCCC(=O)CC(=O)OC- InChIKey
KEFBZRDCTCSBIN-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
Names & identifiers
- Preferred name
- 6-Octenoic acid,3-oxo-, methyl ester
- IUPAC
- methyl 3-oxooct-6-enoate
Names & synonyms
6-Octenoic acid,3-oxo-, methyl ester3-oxo-oct-6-enoic acid methyl ester6-Octenoic acid, 3-oxo-, methyl ester22617-63-6SCHEMBL3425975KEFBZRDCTCSBIN-UHFFFAOYSA-NDB-183637
Database identifiers
- PubChem CID
- 5128463
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Related reactions
10 records
Compound notes
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