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Methyl 9-Octadecenoate

CAT: 0572-TRC-M321350-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M321350-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2462-84-2
Synonyms
9-Octadecenoic Acid Methyl Ester; 9-Octadecenoic acid, methyl ester (7CI, 9CI, ACI); Methyl 9-octadecenoate; 9-Octadecenoic acid methyl ester
Hazard Statement
No Data Available
Smiles
CCCCCCCCC=CCCCCCCCC(=O)OC
Molecular Formula
C19 H36 O2
Molecular Weight
296.49
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3
Additionnal Information
IUPAC name: methyl octadec-9-enoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl elaidate

Methyl (9E)-9-octadecenoate is a fatty acid methyl ester.

CAS Number2462-84-2
PubChem CID5280590
IUPAC Namemethyl (E)-octadec-9-enoate
Molecular FormulaC19H36O2
Molecular Weight296.5
XLogP7.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity246
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
InChIKey
QYDYPVFESGNLHU-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of Methyl elaidate
CAS: 2462-84-2
CID: 5280590
Formula: C19H36O2
MW: 296.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight296.5
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass296.271530387
Monoisotopic Mass296.271530387
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity246
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