Basic information
- CAS
676-00-6- Standard SMILES
CC(=O)CCCCCCCCC(=O)O- InChIKey
UKHMENMPHVRROO-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Overview
9-acetyl pelargonic acid is an oxo carboxylic acid.
Names & identifiers
- Preferred name
- 9-Acetyl pelargonic acid
- IUPAC
- 10-oxoundecanoic acid
- English name
- 10-Oxoundecanoic acid
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
9-acetyl pelargonic acid10-oxo-undecanoic acidRefChem:107491910-oxoundecanoic acid676-00-6Undecanoic acid, 10-oxo-MFCD0009330010-Ketoundecanoic acid10-oxoundecanoicacidSCHEMBL2348213SCHEMBL8931586DTXSID80217917
Show more names
CHEBI:180327LMFA01060038AKOS024319387AS-57453CS-0363790A10929F754571
Database identifiers
- CAS
676-00-6- PubChem CID
- 69606
- DTXSID
DTXSID80217917- ChEBI
CHEBI:180327- Nikkaji
- J206.127I
Properties
Computed structural properties
- XLogP
- 2.5
- 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
Suppliers27 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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