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89033-30-7 | 5-Aminopyridazin-3(2H);-one
CAS No: 89033-30-7 Catalog No: AG0042PZ MDL No:MFCD11520600
Product Description
Catalog Number:
AG0042PZ
Chemical Name:
5-Aminopyridazin-3(2H);-one
CAS Number:
89033-30-7
Molecular Formula:
C4H5N3O
Molecular Weight:
111.1020
MDL Number:
MFCD11520600
IUPAC Name:
4-amino-1H-pyridazin-6-one
InChI:
InChI=1S/C4H5N3O/c5-3-1-4(8)7-6-2-3/h1-2H,(H3,5,7,8)
InChI Key:
MJSOXUAUMZKRAK-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]nc1
NSC Number:
114060
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
111.104g/mol
Monoisotopic Mass:
111.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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