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93378-28-0

93378-28-0 | 1,3,2-Benzodioxathiole, 4,7-bis(1,1-dimethylethyl)-, 2-oxide

CAS No: 93378-28-0 Catalog No: AG006G79 MDL No:

Product Description

Catalog Number:
AG006G79
Chemical Name:
1,3,2-Benzodioxathiole, 4,7-bis(1,1-dimethylethyl)-, 2-oxide
CAS Number:
93378-28-0
Molecular Formula:
C14H20O3S
Molecular Weight:
268.3718
IUPAC Name:
4,7-ditert-butyl-1,3,2λ4-benzodioxathiole 2-oxide
InChI:
InChI=1S/C14H20O3S/c1-13(2,3)9-7-8-10(14(4,5)6)12-11(9)16-18(15)17-12/h7-8H,1-6H3
InChI Key:
DZXPVMWLHZIIRO-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c2c1OS(=O)O2)C(C)(C)C)(C)C

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.113g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.371g/mol
Monoisotopic Mass:
268.113g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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