1,2-Dihydro-4,5-dimethyl-3,6-pyridazinedione - CAS 5754-17-6
Catalog: |
BB043195 |
Product Name: |
1,2-Dihydro-4,5-dimethyl-3,6-pyridazinedione |
CAS: |
5754-17-6 |
Synonyms: |
3,6-Pyridazinedione, 1,2-dihydro-4,5-dimethyl-; 3,6-Dihydroxy-4,5-dimethylpyridazine; NSC 50756; 4,5-Dimethylpyridazine-3,6-diol |
IUPAC Name: | 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CC1=C(C(=O)NNC1=O)C |
InChI: | InChI=1S/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10) |
InChI Key: | QLFHLLQTPRTMLL-UHFFFAOYSA-N |
Boiling Point: | 422.4°C at 760 mmHg |
Melting Point: | 347-351°C |
Purity: | ≥95% |
Density: | 1.160±0.06 g/cm3 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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