4-Oxododecanoic acid
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Basic information
- CAS
4144-55-2- Standard SMILES
CCCCCCCCC(=O)CCC(=O)O- InChIKey
HJMCWLADNPBBMN-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.15689456
Overview
4-keto lauric acid is an oxo carboxylic acid.
Names & identifiers
- Preferred name
- 4-Oxododecanoic acid
- IUPAC
- 4-oxododecanoic acid
- English name
- 4-Oxolauric acid
- Molecular formula
- C12H22O3
- Molecular weight
- 214.3
Names & synonyms
4-Oxododecanoic acid4144-55-24-keto lauric acid4-Oxolauric acid4-oxo-dodecanoic acidMFCD00138070Dodecanoic acid, 4-oxo-SCHEMBL7123835DTXSID80961685CHEBI:180013LMFA01060039SY335858
Show more names
4-Ketolauric acid
E87839AE-641/01096015
Database identifiers
- CAS
4144-55-2- PubChem CID
- 5282987
- DTXSID
DTXSID80961685- ChEBI
CHEBI:180013- Nikkaji
- J206.130I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Chemistry & industry
Additional notes
DefinitionChEBI: 4-keto lauric acid is an oxo carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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