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863015-82-1 | [1,3,4]OXATHIAZINANE 3,3-DIOXIDE
CAS No: 863015-82-1 Catalog No: AG00H35Q MDL No:MFCD09953728
Product Description
Catalog Number:
AG00H35Q
Chemical Name:
[1,3,4]OXATHIAZINANE 3,3-DIOXIDE
CAS Number:
863015-82-1
Molecular Formula:
C3H7NO3S
Molecular Weight:
137.1576
MDL Number:
MFCD09953728
IUPAC Name:
1,3,4-oxathiazinane 3,3-dioxide
InChI:
InChI=1S/C3H7NO3S/c5-8(6)3-7-2-1-4-8/h4H,1-3H2
InChI Key:
CFRCZLVPCCLZFG-UHFFFAOYSA-N
SMILES:
O=S1(=O)COCCN1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.015g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.153g/mol
Monoisotopic Mass:
137.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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