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16957-79-2 | 2-Methylbenzo[b]thiophen-3(2H)-one 1,1-Dioxide
CAS No: 16957-79-2 Catalog No: AG01FLKP MDL No:
Product Description
Catalog Number:
AG01FLKP
Chemical Name:
2-Methylbenzo[b]thiophen-3(2H)-one 1,1-Dioxide
CAS Number:
16957-79-2
IUPAC Name:
2-methyl-1,1-dioxo-1-benzothiophen-3-one
InChI:
InChI=1S/C9H8O3S/c1-6-9(10)7-4-2-3-5-8(7)13(6,11)12/h2-6H,1H3
InChI Key:
MQLDRFDZRIIXAS-UHFFFAOYSA-N
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.22g/mol
Monoisotopic Mass:
196.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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