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α-Linolenic Acid

CAT: 0024-sc-205545Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205545Size:50 mg
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CAS Number
463-40-1

Chemical Information

Linolenic Acid

Alpha-linolenic acid is a linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect. It has a role as a micronutrient, a nutraceutical and a mouse metabolite. It is a linolenic acid and an omega-3 fatty acid. It is a conjugate acid of an alpha-linolenate and a (9Z,12Z,15Z)-octadeca-9,12,15-trienoate.

CAS Number463-40-1
PubChem CID5280934
IUPAC Name(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
Molecular FormulaC18H30O2
Molecular Weight278.4
XLogP5.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count20
Formal Charge0
Complexity301
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChIKey
DTOSIQBPPRVQHS-PDBXOOCHSA-N
Chemical Structure
2D Structure
2D structure of Linolenic Acid
CAS: 463-40-1
CID: 5280934
Formula: C18H30O2
MW: 278.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight278.4
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass278.224580195
Monoisotopic Mass278.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity301
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