Butyl 9-oxononanoate
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Basic information
- CAS
2649-93-6- Standard SMILES
CCCCOC(=O)CCCCCCCC=O- InChIKey
RKCDWVWCNXOCMW-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- Butyl 9-oxononanoate
- IUPAC
- butyl 9-oxononanoate
- English name
- 9-Oxononanoic acid butyl ester
- Molecular formula
- C13H24O3
- Molecular weight
- 228.33
Names & synonyms
Butyl 9-oxononanoateAzelaaldehydic acid, butyl esterDTXSID703439162649-93-6RefChem:331023DTXCID50294992RKCDWVWCNXOCMW-UHFFFAOYSA-NButyl 9-oxononanoate #SCHEMBL197267919-Oxononanoic acid butyl esterAzelaaldehydic acid butyl esterNonanoic acid, 9-oxo-, butyl ester
Database identifiers
- CAS
2649-93-6- PubChem CID
- 593122
- DTXSID
DTXSID70343916- Nikkaji
- J132.859J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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