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88599-31-9 | 2,4-Thiazolidinedione, 5-(2,3-dihydro-1H-inden-5-yl)-
CAS No: 88599-31-9 Catalog No: AG004CJU MDL No:
Product Description
Catalog Number:
AG004CJU
Chemical Name:
2,4-Thiazolidinedione, 5-(2,3-dihydro-1H-inden-5-yl)-
CAS Number:
88599-31-9
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
5-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H11NO2S/c14-11-10(16-12(15)13-11)9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2,(H,13,14,15)
InChI Key:
CCNSGUDNDJCOLF-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)c1ccc2c(c1)CCC2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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