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31846-49-8 | 3,4-Dihydro-4-oxo-3-(2-propynyl)-1H-2,3-benzothiazine 2,2-dioxide
CAS No: 31846-49-8 Catalog No: AG00CUPE MDL No:
Product Description
Catalog Number:
AG00CUPE
Chemical Name:
3,4-Dihydro-4-oxo-3-(2-propynyl)-1H-2,3-benzothiazine 2,2-dioxide
CAS Number:
31846-49-8
IUPAC Name:
2,2-dioxo-3-prop-2-ynyl-1H-2λ6,3-benzothiazin-4-one
InChI:
InChI=1S/C11H9NO3S/c1-2-7-12-11(13)10-6-4-3-5-9(10)8-16(12,14)15/h1,3-6H,7-8H2
InChI Key:
PCUVRILJYXQWBX-UHFFFAOYSA-N
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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