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8-Hydroxyoctanoic acid

CAT: 0013-GTR19229383-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229383-01Size:1 mg
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Description
8-Hydroxyoctanoic acid (CAS 764-89-6) is a biochemical research tool. It serves as a metabolite and synthetic intermediate in studies of fatty acid metabolism and oxidation, applicable in both in vitro enzymatic assays and in vivo metabolic research.
CAS Number
764-89-6
Smiles
OCCCCCCCC (O) =O
Molecular Formula
C8H16O3
Molecular Weight
160.213
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Hydroxyoctanoic acid

8-hydroxyoctanoic acid is an -hydroxy fatty acid that is caprylic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. It is an omega-hydroxy-medium-chain fatty acid and a straight-chain fatty acid. It is functionally related to an octanoic acid.

CAS Number764-89-6
PubChem CID69820
IUPAC Name8-hydroxyoctanoic acid
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP-0.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity102
SMILES
C(CCCC(=O)O)CCCO
InChI
InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)
InChIKey
KDMSVYIHKLZKET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyoctanoic acid
CAS: 764-89-6
CID: 69820
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes