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Home > Indoles and Oxindole > 121161-72-6
121161-72-6 | 1H-Isoindole-1,3(2H)-dione, 2-[2-[(3-furanylmethyl)sulfonyl]ethyl]-
CAS No: 121161-72-6 Catalog No: AG0080NH MDL No:
Product Description
Catalog Number:
AG0080NH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-[(3-furanylmethyl)sulfonyl]ethyl]-
CAS Number:
121161-72-6
Molecular Formula:
C15H13NO5S
Molecular Weight:
319.3324
IUPAC Name:
2-[2-(furan-3-ylmethylsulfonyl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H13NO5S/c17-14-12-3-1-2-4-13(12)15(18)16(14)6-8-22(19,20)10-11-5-7-21-9-11/h1-5,7,9H,6,8,10H2
InChI Key:
FYHZTBNAUKSEDD-UHFFFAOYSA-N
SMILES:
O=C1N(CCS(=O)(=O)Cc2ccoc2)C(=O)c2c1cccc2
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.331g/mol
Monoisotopic Mass:
319.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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