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99060-26-1 | 2H-1,4-Benzothiazin-3(4H)-one, 2-(2-hydroxyethyl)-
CAS No: 99060-26-1 Catalog No: AG006PJA MDL No:
Product Description
Catalog Number:
AG006PJA
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-(2-hydroxyethyl)-
CAS Number:
99060-26-1
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
IUPAC Name:
2-(2-hydroxyethyl)-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C10H11NO2S/c12-6-5-9-10(13)11-7-3-1-2-4-8(7)14-9/h1-4,9,12H,5-6H2,(H,11,13)
InChI Key:
SOLZKLRPOOXCFC-UHFFFAOYSA-N
SMILES:
OCCC1Sc2ccccc2NC1=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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