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Home > Indoles and Oxindole > 648895-53-8
648895-53-8 | 1H-Isoindole-1,3(2H)-dione, 2-[[2-(4-oxo-1-piperidinyl)ethyl]sulfonyl]-
CAS No: 648895-53-8 Catalog No: AG006RXW MDL No:
Product Description
Catalog Number:
AG006RXW
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[2-(4-oxo-1-piperidinyl)ethyl]sulfonyl]-
CAS Number:
648895-53-8
Molecular Formula:
C15H16N2O5S
Molecular Weight:
336.3629
IUPAC Name:
2-[2-(4-oxopiperidin-1-yl)ethylsulfonyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H16N2O5S/c18-11-5-7-16(8-6-11)9-10-23(21,22)17-14(19)12-3-1-2-4-13(12)15(17)20/h1-4H,5-10H2
InChI Key:
PWWNALHBSZJIRP-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)CCS(=O)(=O)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.362g/mol
Monoisotopic Mass:
336.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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