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158096-53-8 | 2H-1,4-Benzothiazin-3(4H)-one, 2-hydroxy-
CAS No: 158096-53-8 Catalog No: AG001PZ9 MDL No:MFCD24562014
Product Description
Catalog Number:
AG001PZ9
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-hydroxy-
CAS Number:
158096-53-8
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD24562014
IUPAC Name:
2-hydroxy-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H7NO2S/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)
InChI Key:
WXQGTYTTXSSYMC-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2SC1O
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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