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823801-82-7 | 2H-1,4-Benzothiazin-3(4H)-one, 6-acetyl-7-methyl-
CAS No: 823801-82-7 Catalog No: AG00539E MDL No:
Product Description
Catalog Number:
AG00539E
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 6-acetyl-7-methyl-
CAS Number:
823801-82-7
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
6-acetyl-7-methyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C11H11NO2S/c1-6-3-10-9(4-8(6)7(2)13)12-11(14)5-15-10/h3-4H,5H2,1-2H3,(H,12,14)
InChI Key:
JBEJOUKMJLYVDE-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cc(c(c2)C)C(=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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