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21069-05-6 | 4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one
CAS No: 21069-05-6 Catalog No: AG00BUAI MDL No:
Product Description
Catalog Number:
AG00BUAI
Chemical Name:
4-Hydroxy-2H-1,4-benzothiazin-3(4H)-one
CAS Number:
21069-05-6
IUPAC Name:
4-hydroxy-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H7NO2S/c10-8-5-12-7-4-2-1-3-6(7)9(8)11/h1-4,11H,5H2
InChI Key:
DPPUGUKGSWBKRP-UHFFFAOYSA-N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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