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69904-12-7 | 7-AMINO-3-METHOXYQUINOXALIN-2(1H)-ONE
CAS No: 69904-12-7 Catalog No: AG005H27 MDL No:
Product Description
Catalog Number:
AG005H27
Chemical Name:
7-AMINO-3-METHOXYQUINOXALIN-2(1H)-ONE
CAS Number:
69904-12-7
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
7-amino-3-methoxy-1H-quinoxalin-2-one
InChI:
InChI=1S/C9H9N3O2/c1-14-9-8(13)11-7-4-5(10)2-3-6(7)12-9/h2-4H,10H2,1H3,(H,11,13)
InChI Key:
VYWPOOWGUIAQCI-UHFFFAOYSA-N
SMILES:
COc1nc2ccc(cc2[nH]c1=O)N
Properties
Complexity:
277
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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