| CAS Number | 95117-76-3 |
| Catalog Number | AG016J5Y(AGN-PC-059LUD) |
| Chemical Name | 6-(4-Ethoxy-phenyl)-2H-pyridazin-3-one |
| 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 |
| MDL Number | MFCD12143121 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | O=C1C=CC(C2=CC=C(OCC)C=C2)=NN1 |
| Synonyms | 6-(4-ethoxyphenyl)pyridazin-3(2H)-one,
95117-76-3,
6-(4-ethoxyphenyl)pyridazin-3-ol,
SCHEMBL10969675,
BBL001500,
HTS015090,
MFCD12143121,
STL102657,
ZINC16887349,
AKOS005208454,
AKOS005716969,
MCULE-4193025184,
6-(4-Ethoxy-phenyl)-2H-pyridazin-3-one,
BB 0242545,
H7803,
L-4745,
F1967-0342,
F2132-0031,
C12H12N2O2,
6-(4-ethoxyphenyl)pyridazin-3(6H)-one,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number