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31846-48-7 | 1H-2,3-Benzothiazin-4(3H)-one,3-(2-propen-1-yl)-, 2,2-dioxide
CAS No: 31846-48-7 Catalog No: AG007I6Q MDL No:
Product Description
Catalog Number:
AG007I6Q
Chemical Name:
1H-2,3-Benzothiazin-4(3H)-one,3-(2-propen-1-yl)-, 2,2-dioxide
CAS Number:
31846-48-7
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
2,2-dioxo-3-prop-2-enyl-1H-2λ6,3-benzothiazin-4-one
InChI:
InChI=1S/C11H11NO3S/c1-2-7-12-11(13)10-6-4-3-5-9(10)8-16(12,14)15/h2-6H,1,7-8H2
InChI Key:
UVRZZNNYGUAYNU-UHFFFAOYSA-N
SMILES:
C=CCN1C(=O)c2ccccc2CS1(=O)=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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