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Home > Pyridines > 1105193-95-0
1105193-95-0 | 6-(2,5-dimethoxyphenyl)pyridazin-3(2H)-one
CAS No: 1105193-95-0 Catalog No: AG018FSD MDL No:MFCD12531089
Product Description
Catalog Number:
AG018FSD
Chemical Name:
6-(2,5-dimethoxyphenyl)pyridazin-3(2H)-one
CAS Number:
1105193-95-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD12531089
IUPAC Name:
3-(2,5-dimethoxyphenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H12N2O3/c1-16-8-3-5-11(17-2)9(7-8)10-4-6-12(15)14-13-10/h3-7H,1-2H3,(H,14,15)
InChI Key:
FVRAWAWBEMQJJV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1ccc(=O)[nH]n1)OC
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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