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Arachidic Acid Methyl Ester

CAT: 0572-TRC-A764980-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A764980-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1120-28-1
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCCCCCCCCCCCCCCCCCC(=O)OC
Molecular Formula
C21 H42 O2
Molecular Weight
326.56
InChI
InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
Additionnal Information
IUPAC name: methyl icosanoate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Methyl arachidate

Methyl arachidate is a fatty acid methyl ester.

CAS Number1120-28-1
PubChem CID14259
IUPAC Namemethyl icosanoate
Molecular FormulaC21H42O2
Molecular Weight326.6
XLogP10.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Heavy Atom Count23
Formal Charge0
Complexity238
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
InChIKey
QGBRLVONZXHAKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl arachidate
CAS: 1120-28-1
CID: 14259
Formula: C21H42O2
MW: 326.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.6
XLogP310.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Exact Mass326.318480578
Monoisotopic Mass326.318480578
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity238
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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