Basic information
- Standard SMILES
O=CCCCCCCCCCCC(=O)O- InChIKey
KGEACANGAYABKT-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.15689456
Names & identifiers
- Preferred name
- 12-Oxododecanoic acid
- IUPAC
- 12-oxododecanoic acid
- English name
- 11-formylundecanoic acid
- Molecular formula
- C12H22O3
- Molecular weight
- 214.3
Names & synonyms
12-oxododecanoic acid3956-80-711-Formylundecanoic acid594WBA8G4RCHEBI:144066DTXSID40192675RefChem:1057436DTXCID80115166223-552-612-oxolauric acidomega-Oxolauric acid12-oxo-dodecanoic acid
Show more names
ω-Oxolauric acid
EINECS 223-552-6Dodecanoic acid, 12-oxo-12-oxododecanoicacidUNII-594WBA8G4RSCHEMBL970516SCHEMBL1010043LMFA01060089MFCD24479550
Database identifiers
- CAS
3956-80-7- PubChem CID
- 77563
- DTXSID
DTXSID40192675- ChEBI
CHEBI:144066- UNII
- 594WBA8G4R
- EC Number
- 223-552-6
- Nikkaji
- J217.787K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- FDA UNII
- 594 WBA8G4R · 594WBA8G4R
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Additional notes
DefinitionChEBI: 12-oxododecanoic acid is an omega-oxo fatty acid that is dodecanoic acid carrying an oxo group at position 12. It is an omega-oxo fatty acid, an oxo monocarboxylic acid, a medium-chain fatty acid and an aldehydic acid. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 12-oxododecanoate.
Related reactions
5 records
Linked notes
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