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Home > Indoles and Oxindole > 222036-53-5
222036-53-5 | 1H-Indole-2,3-dione, 5-(methylsulfonyl)-
CAS No: 222036-53-5 Catalog No: AG01FG66 MDL No:
Product Description
Catalog Number:
AG01FG66
Chemical Name:
1H-Indole-2,3-dione, 5-(methylsulfonyl)-
CAS Number:
222036-53-5
IUPAC Name:
5-methylsulfonyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO4S/c1-15(13,14)5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
InChI Key:
AWBYFLQIQGVIPZ-UHFFFAOYSA-N
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.218g/mol
Monoisotopic Mass:
225.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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