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91122-90-6 | 2,4-Thiazolidinedione, 5-[3-ethoxy-4-[(4-hydroxypentyl)oxy]phenyl]-
CAS No: 91122-90-6 Catalog No: AG006EAQ MDL No:
Product Description
Catalog Number:
AG006EAQ
Chemical Name:
2,4-Thiazolidinedione, 5-[3-ethoxy-4-[(4-hydroxypentyl)oxy]phenyl]-
CAS Number:
91122-90-6
Molecular Formula:
C16H21NO5S
Molecular Weight:
339.4066
IUPAC Name:
5-[3-ethoxy-4-(4-hydroxypentoxy)phenyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C16H21NO5S/c1-3-21-13-9-11(14-15(19)17-16(20)23-14)6-7-12(13)22-8-4-5-10(2)18/h6-7,9-10,14,18H,3-5,8H2,1-2H3,(H,17,19,20)
InChI Key:
JHYZXZVIPHXQOK-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCCCC(O)C)C1SC(=O)NC1=O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.406g/mol
Monoisotopic Mass:
339.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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