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648450-70-8 | 2,4-Thiazolidinedione, 5-[(2-methyl-6-benzofuranyl)methylene]-
CAS No: 648450-70-8 Catalog No: AG006SIG MDL No:
Product Description
Catalog Number:
AG006SIG
Chemical Name:
2,4-Thiazolidinedione, 5-[(2-methyl-6-benzofuranyl)methylene]-
CAS Number:
648450-70-8
Molecular Formula:
C13H9NO3S
Molecular Weight:
259.2805
IUPAC Name:
5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H9NO3S/c1-7-4-9-3-2-8(5-10(9)17-7)6-11-12(15)14-13(16)18-11/h2-6H,1H3,(H,14,15,16)
InChI Key:
BOTCJKWHHMZYTP-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc3c(c2)oc(c3)C)S1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.279g/mol
Monoisotopic Mass:
259.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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