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88103-69-9 | 2,4-Thiazolidinedione, 3-(1-naphthalenyl)-
CAS No: 88103-69-9 Catalog No: AG004EAJ MDL No:
Product Description
Catalog Number:
AG004EAJ
Chemical Name:
2,4-Thiazolidinedione, 3-(1-naphthalenyl)-
CAS Number:
88103-69-9
Molecular Formula:
C13H9NO2S
Molecular Weight:
243.2811
IUPAC Name:
3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H9NO2S/c15-12-8-17-13(16)14(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2
InChI Key:
KEMPSOLDEXWFLS-UHFFFAOYSA-N
SMILES:
O=C1SCC(=O)N1c1cccc2c1cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.28g/mol
Monoisotopic Mass:
243.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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