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17334-69-9 | 3(2H)-Pyridazinone, 4-acetyl-5-amino-6-phenyl-
CAS No: 17334-69-9 Catalog No: AG001YTC MDL No:
Product Description
Catalog Number:
AG001YTC
Chemical Name:
3(2H)-Pyridazinone, 4-acetyl-5-amino-6-phenyl-
CAS Number:
17334-69-9
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
5-acetyl-4-amino-3-phenyl-1H-pyridazin-6-one
InChI:
InChI=1S/C12H11N3O2/c1-7(16)9-10(13)11(14-15-12(9)17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,13,15,17)
InChI Key:
YLRTXUKTQUDNGL-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(=O)[nH]nc(c1N)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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