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Pinolenic acid methyl ester

CAT: 0931-TYD-02762-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02762-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38406-57-4
Target
Others
Related Pathways
Others
Bioactivity
Pinolenic acid methyl ester, the methylated form of pinolenic acid, can be used for analyzing fatty acid content.
Smiles
C(\CC/C=C\C/C=C\CCCCC)=C\CCCC(OC)=O
Molecular Formula
C19H32O2
Molecular Weight
292.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pinolenic Acid methyl ester
CAS Number38406-57-4
PubChem CID35027731
IUPAC Namemethyl (5Z,9Z,12Z)-octadeca-5,9,12-trienoate
Molecular FormulaC19H32O2
Molecular Weight292.5
XLogP6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity314
SMILES
CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)OC
InChI
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,14-15H,3-6,9,12-13,16-18H2,1-2H3/b8-7-,11-10-,15-14-
InChIKey
UHRQLTPSFITDRF-BYKHLRFOSA-N
Chemical Structure
2D Structure
2D structure of Pinolenic Acid methyl ester
CAS: 38406-57-4
CID: 35027731
Formula: C19H32O2
MW: 292.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight292.5
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass292.240230259
Monoisotopic Mass292.240230259
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes