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312944-88-0 | (5E)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CAS No: 312944-88-0 Catalog No: AG00IW4Q MDL No:MFCD00640655
Product Description
Catalog Number:
AG00IW4Q
Chemical Name:
(5E)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CAS Number:
312944-88-0
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
MDL Number:
MFCD00640655
IUPAC Name:
5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H9NO4S/c1-16-7-4-2-3-6(9(7)13)5-8-10(14)12-11(15)17-8/h2-5,13H,1H3,(H,12,14,15)
InChI Key:
YWULELJUDXQYSW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1O)/C=C\1/SC(=O)NC1=O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.256g/mol
Monoisotopic Mass:
251.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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