Basic information
- CAS
56275-54-8- Standard SMILES
CCCCCCCC(=O)C(=O)OC- InChIKey
HUSBNWDARRYDJC-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- Nonanoic acid, 2-oxo-, methyl ester
- IUPAC
- methyl 2-oxononanoate
Names & synonyms
Nonanoic acid, 2-oxo-, methyl esterDTXSID3088089256275-54-8RefChem:365860DTXCID901022238Methyl 2-oxononanoateMethyl 2-oxononanoate #SCHEMBL7640351HUSBNWDARRYDJC-UHFFFAOYSA-NNS00096335
Database identifiers
- CAS
56275-54-8- PubChem CID
- 545673
- DTXSID
DTXSID30880892- Nikkaji
- J132.414D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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