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80708-31-2 | [1,2,4]Triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione, 2-acetyl-5-methyl-
CAS No: 80708-31-2 Catalog No: AG005JRS MDL No:
Product Description
Catalog Number:
AG005JRS
Chemical Name:
[1,2,4]Triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione, 2-acetyl-5-methyl-
CAS Number:
80708-31-2
Molecular Formula:
C12H10N4O3
Molecular Weight:
258.2328
IUPAC Name:
2-acetyl-5-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
InChI:
InChI=1S/C12H10N4O3/c1-7(17)16-12(19)15-9-6-4-3-5-8(9)14(2)11(18)10(15)13-16/h3-6H,1-2H3
InChI Key:
YAVGNEUKUXIREM-UHFFFAOYSA-N
SMILES:
CC(=O)n1nc2n(c1=O)c1ccccc1n(c2=O)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.237g/mol
Monoisotopic Mass:
258.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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