Basic information
- CAS
20356-92-7- Standard SMILES
CCC(=O)CCCCCC(=O)O- InChIKey
BMDUEIZQNLDNCI-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Overview
6-propionyl n-caproic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 6-Propionyl n-caproic acid
- IUPAC
- 7-oxononanoic acid
- English name
- 7-Oxononanoic acid)
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
7-oxo-nonanoic acid6-propionyl n-caproic acidRefChem:10741377-Oxononanoic acid20356-92-7MFCD013201617-ketopelargonic acid7-oxo-nonanoicacidNonanoic acid, 7-oxo-7-oxidanylidenenonanoic acidSCHEMBL2075316DTXSID60942513
Show more names
BMDUEIZQNLDNCI-UHFFFAOYSA-NCHEBI:179515LMFA01060026AKOS006277607AT53228MS-21585DB-229650F207258
Database identifiers
- CAS
20356-92-7- PubChem CID
- 545982
- DTXSID
DTXSID60942513- ChEBI
CHEBI:179515- Nikkaji
- J206.109K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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: 6-propionyl n-caproic acid is a medium-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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