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1002129-56-7 | 2(1H)-Quinoxalinone, 5-amino-
CAS No: 1002129-56-7 Catalog No: AG000198 MDL No:MFCD22571050
Product Description
Catalog Number:
AG000198
Chemical Name:
2(1H)-Quinoxalinone, 5-amino-
CAS Number:
1002129-56-7
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD22571050
IUPAC Name:
5-amino-1H-quinoxalin-2-one
InChI:
InChI=1S/C8H7N3O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-4H,9H2,(H,11,12)
InChI Key:
UNKJKGPIDUUPDM-UHFFFAOYSA-N
SMILES:
O=c1cnc2c([nH]1)cccc2N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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