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16044-43-2 | 1,2,4-Triazolidine-3,5-dione, 1-acetyl-4-phenyl-
CAS No: 16044-43-2 Catalog No: AG001RXO MDL No:
Product Description
Catalog Number:
AG001RXO
Chemical Name:
1,2,4-Triazolidine-3,5-dione, 1-acetyl-4-phenyl-
CAS Number:
16044-43-2
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C10H9N3O3/c1-7(14)13-10(16)12(9(15)11-13)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,15)
InChI Key:
GMFZGVRQOGGCSY-UHFFFAOYSA-N
SMILES:
CC(=O)n1[nH]c(=O)n(c1=O)c1ccccc1
NSC Number:
682734
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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