| CAS Number | 2102411-59-4 |
| Catalog Number | AG01DTJ9 |
| Chemical Name | 5H,8H-imidazo[1,2-b]pyridazin-8-one |
| IUPAC Name | 5,6,7,8a-tetrahydro-1H-imidazo[1,2-b]pyridazin-8-one |
| InChI | InChI=1S/C6H9N3O/c10-5-1-2-8-9-4-3-7-6(5)9/h3-4,6-8H,1-2H2 |
| InChI Key | GTPCLGWFKLSJES-UHFFFAOYSA-N |
| MDL Number | MFCD30803671 |
| Molecular Formula | C6H5N3O |
| Molecular Weight | 135.1234 |
| SMILES | O=c1cc[nH]n2ccnc12 |
| Synonyms | 2102411-59-4,
imidazo[1,2-b]pyridazin-8(5H)-one,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.158g/mol |
| Monoisotopic Mass | 139.075g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number