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8,11,14-Eicosatriynoic Acid

CAT: 0024-sc-221152ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-221152ASize:5 mg
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CAS Number
34262-64-1

Chemical Information

8,11,14,18-Eicosatetraynoic acid

8,11,14,18-Eicosatetraynoic acid is a long-chain fatty acid.

CAS Number34262-64-1
PubChem CID9543604
IUPAC Nameicosa-8,11,14-triynoic acid
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP6.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity489
SMILES
CCCCCC#CCC#CCC#CCCCCCCC(=O)O
InChI
InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14-19H2,1H3,(H,21,22)
InChIKey
QLLIWTBTVOPGCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8,11,14,18-Eicosatetraynoic acid
CAS: 34262-64-1
CID: 9543604
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity489
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