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Linoleic Anhydride

CAT: 0024-sc-487225Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-487225Size:1 g
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CAS Number
24909-68-0

Chemical Information

Linoleic Anhydride
CAS Number24909-68-0
PubChem CID90646
IUPAC Nameoctadeca-9,12-dienoyl octadeca-9,12-dienoate
Molecular FormulaC36H62O3
Molecular Weight542.9
XLogP13.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Heavy Atom Count39
Formal Charge0
Complexity600
SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCC=CCCCCC
InChI
InChI=1S/C36H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-34H2,1-2H3
InChIKey
BDTYMGCNULYACO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Linoleic Anhydride
CAS: 24909-68-0
CID: 90646
Formula: C36H62O3
MW: 542.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.9
XLogP313.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Exact Mass542.46989584
Monoisotopic Mass542.46989584
Topological Polar Surface Area43.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count4
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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