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91375-76-7 | 2H-1,4-Benzothiazin-3(4H)-one, 8-hydroxy-
CAS No: 91375-76-7 Catalog No: AG006NKY MDL No:
Product Description
Catalog Number:
AG006NKY
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 8-hydroxy-
CAS Number:
91375-76-7
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
IUPAC Name:
8-hydroxy-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H7NO2S/c10-6-3-1-2-5-8(6)12-4-7(11)9-5/h1-3,10H,4H2,(H,9,11)
InChI Key:
HHSNRRCSRPQQNP-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1SCC(=O)N2
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:
2
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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