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143995-04-4 | 3,5-Pyrazolidinedione, 1-(3-phenyl-1,2,4-oxadiazol-5-yl)-
CAS No: 143995-04-4 Catalog No: AG001IQS MDL No:
Product Description
Catalog Number:
AG001IQS
Chemical Name:
3,5-Pyrazolidinedione, 1-(3-phenyl-1,2,4-oxadiazol-5-yl)-
CAS Number:
143995-04-4
Molecular Formula:
C11H8N4O3
Molecular Weight:
244.2062
IUPAC Name:
1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazolidine-3,5-dione
InChI:
InChI=1S/C11H8N4O3/c16-8-6-9(17)15(13-8)11-12-10(14-18-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,16)
InChI Key:
PQCUCJSOFIZCEL-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)N(N1)c1onc(n1)c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.21g/mol
Monoisotopic Mass:
244.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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