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158605-69-7 | 2,4-Thiazolidinedione, 5-[(4-ethoxyphenyl)methylene]-
CAS No: 158605-69-7 Catalog No: AG001QC7 MDL No:
Product Description
Catalog Number:
AG001QC7
Chemical Name:
2,4-Thiazolidinedione, 5-[(4-ethoxyphenyl)methylene]-
CAS Number:
158605-69-7
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H11NO3S/c1-2-16-9-5-3-8(4-6-9)7-10-11(14)13-12(15)17-10/h3-7H,2H2,1H3,(H,13,14,15)
InChI Key:
GIRVZKMQGSXZKT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C=C1SC(=O)NC1=O
Properties
Complexity:
346
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:
1
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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