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569650-27-7 | 1,2lambda6,3-oxathiazinane-2,2-dione
CAS No: 569650-27-7 Catalog No: AG01EIPR MDL No:MFCD31616602
Product Description
Catalog Number:
AG01EIPR
Chemical Name:
1,2lambda6,3-oxathiazinane-2,2-dione
CAS Number:
569650-27-7
Molecular Formula:
C3H7NO3S
Molecular Weight:
137.1576
MDL Number:
MFCD31616602
IUPAC Name:
oxathiazinane 2,2-dioxide
InChI:
InChI=1S/C3H7NO3S/c5-8(6)4-2-1-3-7-8/h4H,1-3H2
InChI Key:
HIYBICWLLTWQND-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCCCO1
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:
-0.5
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