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89686-76-0 | Propaneperoxoic acid, 3,3'-thiobis-, bis(1,1-dimethylethyl) ester
CAS No: 89686-76-0 Catalog No: AG0044B7 MDL No:
Product Description
Catalog Number:
AG0044B7
Chemical Name:
Propaneperoxoic acid, 3,3'-thiobis-, bis(1,1-dimethylethyl) ester
CAS Number:
89686-76-0
Molecular Formula:
C14H26O6S
Molecular Weight:
322.4176
IUPAC Name:
tert-butyl 3-(3-tert-butylperoxy-3-oxopropyl)sulfanylpropaneperoxoate
InChI:
InChI=1S/C14H26O6S/c1-13(2,3)19-17-11(15)7-9-21-10-8-12(16)18-20-14(4,5)6/h7-10H2,1-6H3
InChI Key:
OAFAJXPVUHGGIG-UHFFFAOYSA-N
SMILES:
O=C(OOC(C)(C)C)CCSCCC(=O)OOC(C)(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.416g/mol
Monoisotopic Mass:
322.145g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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