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Home > Pyridines > 123696-01-5
123696-01-5 | 3(2H)-Pyridazinone, 5-methoxy-
CAS No: 123696-01-5 Catalog No: AG000KY2 MDL No:MFCD05664509
Product Description
Catalog Number:
AG000KY2
Chemical Name:
3(2H)-Pyridazinone, 5-methoxy-
CAS Number:
123696-01-5
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD05664509
IUPAC Name:
4-methoxy-1H-pyridazin-6-one
InChI:
InChI=1S/C5H6N2O2/c1-9-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
InChI Key:
NRILSJUKEHQBLU-UHFFFAOYSA-N
SMILES:
COc1cc(=O)[nH]nc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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