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90986-54-2 | 1,2,3-Oxathiazin-4(3H)-one, 5-butyl-6-methyl-, 2,2-dioxide
CAS No: 90986-54-2 Catalog No: AG006FS7 MDL No:
Product Description
Catalog Number:
AG006FS7
Chemical Name:
1,2,3-Oxathiazin-4(3H)-one, 5-butyl-6-methyl-, 2,2-dioxide
CAS Number:
90986-54-2
Molecular Formula:
C8H13NO4S
Molecular Weight:
219.2581
IUPAC Name:
5-butyl-6-methyl-2,2-dioxooxathiazin-4-one
InChI:
InChI=1S/C8H13NO4S/c1-3-4-5-7-6(2)13-14(11,12)9-8(7)10/h3-5H2,1-2H3,(H,9,10)
InChI Key:
QUZOWACWRJDPQX-UHFFFAOYSA-N
SMILES:
CCCCC1=C(C)OS(=O)(=O)NC1=O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.255g/mol
Monoisotopic Mass:
219.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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