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123855-79-8 | 2,3-Quinoxalinedione, 6-amino-1,4-dihydro-1-methyl-
CAS No: 123855-79-8 Catalog No: AG000L6H MDL No:
Product Description
Catalog Number:
AG000L6H
Chemical Name:
2,3-Quinoxalinedione, 6-amino-1,4-dihydro-1-methyl-
CAS Number:
123855-79-8
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
7-amino-4-methyl-1H-quinoxaline-2,3-dione
InChI:
InChI=1S/C9H9N3O2/c1-12-7-3-2-5(10)4-6(7)11-8(13)9(12)14/h2-4H,10H2,1H3,(H,11,13)
InChI Key:
JQOJMOQTNUNYMT-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)[nH]c(=O)c(=O)n2C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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