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113520-72-2 | 1,2,4-Triazolidine-1-acetamide, N-acetyl-3,5-dioxo-4-phenyl-
CAS No: 113520-72-2 Catalog No: AG0008VL MDL No:
Product Description
Catalog Number:
AG0008VL
Chemical Name:
1,2,4-Triazolidine-1-acetamide, N-acetyl-3,5-dioxo-4-phenyl-
CAS Number:
113520-72-2
Molecular Formula:
C12H12N4O4
Molecular Weight:
276.2481
IUPAC Name:
N-acetyl-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)acetamide
InChI:
InChI=1S/C12H12N4O4/c1-8(17)13-10(18)7-15-12(20)16(11(19)14-15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,19)(H,13,17,18)
InChI Key:
CGTHMPMELZLBOG-UHFFFAOYSA-N
SMILES:
O=C(Cn1[nH]c(=O)n(c1=O)c1ccccc1)NC(=O)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.252g/mol
Monoisotopic Mass:
276.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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