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95117-76-3 | 6-(4-Ethoxy-phenyl)-2H-pyridazin-3-one
CAS No: 95117-76-3 Catalog No: AG016J5Y MDL No:MFCD12143121
Product Description
Catalog Number:
AG016J5Y
Chemical Name:
6-(4-Ethoxy-phenyl)-2H-pyridazin-3-one
CAS Number:
95117-76-3
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD12143121
IUPAC Name:
3-(4-ethoxyphenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H12N2O2/c1-2-16-10-5-3-9(4-6-10)11-7-8-12(15)14-13-11/h3-8H,2H2,1H3,(H,14,15)
InChI Key:
RHVSZNYYPAWPCX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1ccc(=O)[nH]n1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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