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58897-53-3 | 6-(4-butoxyphenyl)pyridazin-3(2H)-one
CAS No: 58897-53-3 Catalog No: AG00ES38 MDL No:
Product Description
Catalog Number:
AG00ES38
Chemical Name:
6-(4-butoxyphenyl)pyridazin-3(2H)-one
CAS Number:
58897-53-3
IUPAC Name:
3-(4-butoxyphenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C14H16N2O2/c1-2-3-10-18-12-6-4-11(5-7-12)13-8-9-14(17)16-15-13/h4-9H,2-3,10H2,1H3,(H,16,17)
InChI Key:
CZDXBRXKRHVHQY-UHFFFAOYSA-N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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