(E) -Octadec-9-Enoic Acid

CAT: 0127-OR1008368-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1008368-01Size:250 mg

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CAS Number

112-79-8

MDL Number

MFCD00063954

Purity

98%

Smiles

CCCCCCCC\C=C\CCCCCCCC(=O)O

Chemical Information

Elaidic Acid

Elaidic acid is a 9-octadecenoic acid and the trans-isomer of oleic acid. It has a role as a food component. It is a conjugate acid of an Octadec-9-enoic acid anion and an elaidate. It derives from a hydride of a trans-octadec-9-ene.

CAS Number	112-79-8
PubChem CID	637517
IUPAC Name	(E)-octadec-9-enoic acid
Molecular Formula	C18H34O2
Molecular Weight	282.5
XLogP	6.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	20
Formal Charge	0
Complexity	234

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-MDZDMXLPSA-N

Chemical Structure

2D Structure

CAS: 112-79-8

CID: 637517

Formula: C18H34O2

MW: 282.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	282.5
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	282.255880323
Monoisotopic Mass	282.255880323
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-W814363-01	Octadec-9-enoic acid-13C5
HY-W718351-01	(Z) -Octadec-8-enoic acid
TRC-O338005-100MG	(14E)-Octadec-14-enoic Acid
HY-W683479-01	(Z) -Octadec-13-enoic acid
TRC-O073315-500MG	Octadec-9-enedioic Acid
TRC-L575781-25MG	(Z)-8-(Lambda2-methylene-13C)octadec-9-enoic-8-13C acid
GTR19271641-01	(9Z) -octadec-9-enedioic acid
GTR19272604-01	9- (methoxycarbonyl) dec-9-enoic acid
JH918357	(E) -octadec-11-en-9-ynoic acid
TRC-O524301-25MG	(Z)-Octadec-9-enoic-15,15,16,16,17,17,18,18,18-d9 acid

(E) -Octadec-9-Enoic Acid

Chemical Information

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