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Home > Indoles and Oxindole > 98184-58-8
98184-58-8 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(methylsulfonyl)propyl]-
CAS No: 98184-58-8 Catalog No: AG00IK1Q MDL No:MFCD28014038
Product Description
Catalog Number:
AG00IK1Q
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(methylsulfonyl)propyl]-
CAS Number:
98184-58-8
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
MDL Number:
MFCD28014038
IUPAC Name:
2-(3-methylsulfonylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO4S/c1-18(16,17)8-4-7-13-11(14)9-5-2-3-6-10(9)12(13)15/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
CSIJUHOYVCEFIE-UHFFFAOYSA-N
SMILES:
O=C1N(CCCS(=O)(=O)C)C(=O)c2c1cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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