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115732-67-7 | 9-Octadecenoic acid (9Z)-, heneicosyl ester
CAS No: 115732-67-7 Catalog No: AG000GTJ MDL No:
Product Description
Catalog Number:
AG000GTJ
Chemical Name:
9-Octadecenoic acid (9Z)-, heneicosyl ester
CAS Number:
115732-67-7
Molecular Formula:
C40H78O2
Molecular Weight:
591.0461
IUPAC Name:
docosyl octadec-9-enoate
InChI:
InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h18,24H,3-17,19-23,25-39H2,1-2H3
InChI Key:
QKPJNZCOIFUYNE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
590.6g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
591.062g/mol
Monoisotopic Mass:
590.6g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
18.6
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