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89808-05-9 | Ethanone, 1-(5-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-
CAS No: 89808-05-9 Catalog No: AG003Y9R MDL No:
Product Description
Catalog Number:
AG003Y9R
Chemical Name:
Ethanone, 1-(5-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-
CAS Number:
89808-05-9
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
1-(5-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
InChI:
InChI=1S/C13H15NO2S/c1-4-16-10-6-5-7-11-12(10)14-8(2)13(17-11)9(3)15/h5-7,14H,4H2,1-3H3
InChI Key:
DAQVJULFFUYJBA-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1NC(=C(S2)C(=O)C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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