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184840-72-0 | (5E)-5-(3-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CAS No: 184840-72-0 Catalog No: AG00ABA7 MDL No:MFCD00640643
Product Description
Catalog Number:
AG00ABA7
Chemical Name:
(5E)-5-(3-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CAS Number:
184840-72-0
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
MDL Number:
MFCD00640643
IUPAC Name:
5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C10H7NO3S/c12-7-3-1-2-6(4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
InChI Key:
IKLKVFXCODJJRX-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)/C(=C\c2cccc(c2)O)/S1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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