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251474-50-7 | 2(1H)-Quinoxalinone, 7-amino-3,4-dihydro-
CAS No: 251474-50-7 Catalog No: AG002QMT MDL No:MFCD07366641
Product Description
Catalog Number:
AG002QMT
Chemical Name:
2(1H)-Quinoxalinone, 7-amino-3,4-dihydro-
CAS Number:
251474-50-7
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD07366641
IUPAC Name:
7-amino-3,4-dihydro-1H-quinoxalin-2-one
InChI:
InChI=1S/C8H9N3O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4,9H2,(H,11,12)
InChI Key:
DJXGMOLGTSLRTP-UHFFFAOYSA-N
SMILES:
Nc1cc2NC(=O)CNc2cc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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