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Octanoic Acid

CAT: 0203-07111-82Size: 25 mLDry Ice: NoHazardous: Yes
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CAT#:0203-07111-82Size:25 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124-07-2
UN Code
3265
Purity
≧ 98.0% (GC)
Storage Conditions
Room Temperature
Grade
GR (Guaranteed Reagent)

Chemical Information

Octanoic Acid

Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, an Escherichia coli metabolite and a human metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.

CAS Number124-07-2
PubChem CID379
IUPAC Nameoctanoic acid
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity89
SMILES
CCCCCCCC(=O)O
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey
WWZKQHOCKIZLMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanoic Acid
CAS: 124-07-2
CID: 379
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity89.3
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

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