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143832-90-0 | 2,4-Thiazolidinedione, 5-[(4-methoxyphenyl)methylene]-3-methyl-
CAS No: 143832-90-0 Catalog No: AG001IG7 MDL No:
Product Description
Catalog Number:
AG001IG7
Chemical Name:
2,4-Thiazolidinedione, 5-[(4-methoxyphenyl)methylene]-3-methyl-
CAS Number:
143832-90-0
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H11NO3S/c1-13-11(14)10(17-12(13)15)7-8-3-5-9(16-2)6-4-8/h3-7H,1-2H3
InChI Key:
LQCLLWWODNPCCK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1SC(=O)N(C1=O)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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