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89991-34-4 | 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-
CAS No: 89991-34-4 Catalog No: AG006MII MDL No:
Product Description
Catalog Number:
AG006MII
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-
CAS Number:
89991-34-4
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
IUPAC Name:
4-methoxy-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NO2S/c1-12-10-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3
InChI Key:
HKJAMQCYLAFQRO-UHFFFAOYSA-N
SMILES:
CON1C(=O)CSc2c1cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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