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29209-01-6 | 2H-1,2-Benzothiazin-3(4H)-one, 2-methyl-, 1,1-dioxide
CAS No: 29209-01-6 Catalog No: AG002XP0 MDL No:
Product Description
Catalog Number:
AG002XP0
Chemical Name:
2H-1,2-Benzothiazin-3(4H)-one, 2-methyl-, 1,1-dioxide
CAS Number:
29209-01-6
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
2-methyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
InChI:
InChI=1S/C9H9NO3S/c1-10-9(11)6-7-4-2-3-5-8(7)14(10,12)13/h2-5H,6H2,1H3
InChI Key:
GGPCERYTJXDGOH-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2S(=O)(=O)N1C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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