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6182-11-2 | Propylene glycol distearate
CAS No: 6182-11-2 Catalog No: AG00F3FE MDL No:
Product Description
Catalog Number:
AG00F3FE
Chemical Name:
Propylene glycol distearate
CAS Number:
6182-11-2
Molecular Formula:
C39H76O4
Molecular Weight:
609.0183
IUPAC Name:
2-octadecanoyloxypropyl octadecanoate
InChI:
InChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3
InChI Key:
JEMDXOYRWHZUCG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C
EC Number:
228-229-3
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.574g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
609.033g/mol
Monoisotopic Mass:
608.574g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
17.3
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