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109884-54-0 | NEOPENTYL GLYCOL DIISOSTEARATE
CAS No: 109884-54-0 Catalog No: AG009TSV MDL No:
Product Description
Catalog Number:
AG009TSV
Chemical Name:
NEOPENTYL GLYCOL DIISOSTEARATE
CAS Number:
109884-54-0
IUPAC Name:
[2,2-dimethyl-3-(16-methylheptadecanoyloxy)propyl] 16-methylheptadecanoate
InChI:
InChI=1S/C41H80O4/c1-37(2)31-27-23-19-15-11-7-9-13-17-21-25-29-33-39(42)44-35-41(5,6)36-45-40(43)34-30-26-22-18-14-10-8-12-16-20-24-28-32-38(3)4/h37-38H,7-36H2,1-6H3
InChI Key:
AWNFRSYMBMFGLK-UHFFFAOYSA-N
EC Number:
807-674-2
UNII:
4M6OQ34JWW
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
636.606g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
637.087g/mol
Monoisotopic Mass:
636.606g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.4
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