Basic information
- CAS
91267-42-4- Standard SMILES
CCC(=O)CCCCCCCC(=O)O- InChIKey
KUPZGNQJONLIRP-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Overview
8-propionyl caprylic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 9-Oxoundecanoic acid
- IUPAC
- 9-oxoundecanoic acid
- English name
- 9-Oxoundecanoic acid
- Molecular formula
- C11H20O3
- Molecular weight
- 200.2747
Names & synonyms
9-Oxoundecanoic acid8-propionyl caprylic acid9-oxo-undecanoic acid91267-42-4SCHEMBL10343699DTXSID40919864CHEBI:180330LMFA01060037
Database identifiers
- CAS
91267-42-4- PubChem CID
- 5282986
- DTXSID
DTXSID40919864- ChEBI
CHEBI:180330- Nikkaji
- J206.126K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Chemistry & industry
Suppliers2 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Additional notes
DefinitionChEBI: 8-propionyl caprylic acid is a medium-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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