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80756-16-7 | Octacosanoic acid, hexadecyl ester
CAS No: 80756-16-7 Catalog No: AG0051FM MDL No:
Product Description
Catalog Number:
AG0051FM
Chemical Name:
Octacosanoic acid, hexadecyl ester
CAS Number:
80756-16-7
Molecular Formula:
C44H88O2
Molecular Weight:
649.1683
IUPAC Name:
hexadecyl octacosanoate
InChI:
InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44(45)46-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3
InChI Key:
WRLDVWWFWXVRMH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
UNII:
O7F4812VDX
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.678g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
649.186g/mol
Monoisotopic Mass:
648.678g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21.7
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