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Oleic acid

CAT: 0127-BUP18491-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP18491-02Size:1 g
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CAS Number
112-80-1
Synonyms
9-Octadecenoic Acid, Elaidoic acid, 9Z-Octadecenoic acid, Oleate, Glycon Wo, 9-cis-Octadecenoic acid
Purity
=95%
Smiles
C(C/C=C\CCCCCCCC)CCCCCC(O)=O

Chemical Information

Oleic Acid

Oleic acid is an octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. It has a role as an antioxidant, a solvent, a mouse metabolite, a plant metabolite, an Escherichia coli metabolite, an EC 3.1.1.1 (carboxylesterase) inhibitor and a Daphnia galeata metabolite. It is a conjugate acid of an oleate. It derives from a hydride of a cis-octadec-9-ene.

CAS Number112-80-1
PubChem CID445639
IUPAC Name(Z)-octadec-9-enoic acid
Molecular FormulaC18H34O2
Molecular Weight282.5
XLogP6.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity234
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey
ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of Oleic Acid
CAS: 112-80-1
CID: 445639
Formula: C18H34O2
MW: 282.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.5
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass282.255880323
Monoisotopic Mass282.255880323
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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