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178238-94-3 | 2,4-Thiazolidinedione, 5-[5-(4-hydroxyphenyl)pentyl]-
CAS No: 178238-94-3 Catalog No: AG0025UD MDL No:
Product Description
Catalog Number:
AG0025UD
Chemical Name:
2,4-Thiazolidinedione, 5-[5-(4-hydroxyphenyl)pentyl]-
CAS Number:
178238-94-3
Molecular Formula:
C14H17NO3S
Molecular Weight:
279.3547
IUPAC Name:
5-[5-(4-hydroxyphenyl)pentyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C14H17NO3S/c16-11-8-6-10(7-9-11)4-2-1-3-5-12-13(17)15-14(18)19-12/h6-9,12,16H,1-5H2,(H,15,17,18)
InChI Key:
LATFLDQXTSATJT-UHFFFAOYSA-N
SMILES:
O=C1SC(C(=O)N1)CCCCCc1ccc(cc1)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.354g/mol
Monoisotopic Mass:
279.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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