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89541-81-1 | 2(1H)-Pyrazinone, 5-(4-aminophenyl)-3-methyl-
CAS No: 89541-81-1 Catalog No: AG003YOW MDL No:
Product Description
Catalog Number:
AG003YOW
Chemical Name:
2(1H)-Pyrazinone, 5-(4-aminophenyl)-3-methyl-
CAS Number:
89541-81-1
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
5-(4-aminophenyl)-3-methyl-1H-pyrazin-2-one
InChI:
InChI=1S/C11H11N3O/c1-7-11(15)13-6-10(14-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3,(H,13,15)
InChI Key:
KDQZZTBOALBRCR-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1c[nH]c(=O)c(n1)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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