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55894-45-6 | 1,2,3-Oxathiazine,tetrahydro-3-(1-methylethyl)-,2-oxide(9CI)
CAS No: 55894-45-6 Catalog No: AG00E6B1 MDL No:
Product Description
Catalog Number:
AG00E6B1
Chemical Name:
1,2,3-Oxathiazine,tetrahydro-3-(1-methylethyl)-,2-oxide(9CI)
CAS Number:
55894-45-6
IUPAC Name:
3-propan-2-yloxathiazinane 2-oxide
InChI:
InChI=1S/C6H13NO2S/c1-6(2)7-4-3-5-9-10(7)8/h6H,3-5H2,1-2H3
InChI Key:
IXJGKLHKDQONDZ-UHFFFAOYSA-N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.235g/mol
Monoisotopic Mass:
163.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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