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20611-90-9 | Propanoic acid, 2,2'-thiobis-, didodecyl ester (9CI)
CAS No: 20611-90-9 Catalog No: AG002AJV MDL No:
Product Description
Catalog Number:
AG002AJV
Chemical Name:
Propanoic acid, 2,2'-thiobis-, didodecyl ester (9CI)
CAS Number:
20611-90-9
Molecular Formula:
C30H58O4S
Molecular Weight:
514.8441
IUPAC Name:
dodecyl 2-(1-dodecoxy-1-oxopropan-2-yl)sulfanylpropanoate
InChI:
InChI=1S/C30H58O4S/c1-5-7-9-11-13-15-17-19-21-23-25-33-29(31)27(3)35-28(4)30(32)34-26-24-22-20-18-16-14-12-10-8-6-2/h27-28H,5-26H2,1-4H3
InChI Key:
XJQUFWCXNMUBGK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C(SC(C(=O)OCCCCCCCCCCCC)C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.406g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.85g/mol
Monoisotopic Mass:
514.406g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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