Basic information
- CAS
54527-29-6- Standard SMILES
CCCCCCCCCC(=O)CCCCCC(=O)O- InChIKey
BLGIAJAFLPDOCR-UHFFFAOYSA-N- Molecular formula
- C16H30O3
- Average molar mass
- 270.41 g/mol
- Monoisotopic mass
- 270.21949481
Overview
7-Keto palmitic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 7-Oxohexadecanoic acid
- IUPAC
- 7-oxohexadecanoic acid
- English name
- 7-Oxohexadecanoic acid
- Molecular formula
- C16H30O3
- Molecular weight
- 270.41
Names & synonyms
7-oxohexadecanoic acid7-keto palmitic acid54527-29-67-oxo-hexadecanoic acidHexadecanoic acid, 7-oxo-SCHEMBL29190194DTXSID70415263CHEBI:165437LMFA01060054G676297-Ketopalmitic acid
Database identifiers
- CAS
54527-29-6- PubChem CID
- 5283000
- DTXSID
DTXSID70415263- ChEBI
CHEBI:165437- Nikkaji
- J206.177E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 418 · 418.0±28.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- pka
- 4.74 · 4.74±0.10(Predicted)
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Additional notes
DefinitionChEBI: 7-Keto palmitic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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