Heptanoic acid, 2,2-dimethyl-6-oxo- structure

Heptanoic acid, 2,2-dimethyl-6-oxo-

2,2-dimethyl-6-oxoheptanoic acid

Also Known As: Geronic acid|2,2-Dimethyl-6-oxoheptanoic acid|Heptanoic acid, 2,2-dimethyl-6-oxo-|2,2-Dimethyl-6-oxoheptanoicacid|2,2-dimethyl-6-oxo-heptanoic acid|6-keto-2,2-dimethyl-enanthic acid|Heptanoic acid,2,2-dimethyl-6-oxo

CAS: 461-11-0
Molecular Formula C9H16O3
Molecular Weight 172.10994 g/mol
LogP 1.8565
Topological Polar Surface Area 54.37 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 5
Exact Mass 172.10994
Monoisotopic Mass 172.10994
Heavy Atoms 12
Complexity 182.21266

Chemical Identifiers

CAS Number 461-11-0
SMILES CC(=O)CCCC(C)(C)C(=O)O

Product Overview

Heptanoic acid, 2,2-dimethyl-6-oxo- (CAS 461-11-0), with molecular formula C9H16O3 and molecular weight 172.10994 g/mol. IUPAC: 2,2-dimethyl-6-oxoheptanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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