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Home > Pyridines > 1346697-79-7
1346697-79-7 | 5-(Neopentyloxy)pyridazin-3(2H)-one
CAS No: 1346697-79-7 Catalog No: AG00HTMK MDL No:
Product Description
Catalog Number:
AG00HTMK
Chemical Name:
5-(Neopentyloxy)pyridazin-3(2H)-one
CAS Number:
1346697-79-7
IUPAC Name:
4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one
InChI:
InChI=1S/C9H14N2O2/c1-9(2,3)6-13-7-4-8(12)11-10-5-7/h4-5H,6H2,1-3H3,(H,11,12)
InChI Key:
CBOXNQQTQGOSQZ-UHFFFAOYSA-N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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