3-Ethynyl-6-methylpyridazine - CAS 77778-20-2
Catalog: |
BB063226 |
Product Name: |
3-Ethynyl-6-methylpyridazine |
CAS: |
77778-20-2 |
Synonyms: |
3-ethynyl-6-methylpyridazine; 3-Ethynyl-6-methyl-pyridazine; Pyridazine, 3-ethynyl-6-methyl- |
IUPAC Name: | 3-ethynyl-6-methylpyridazine |
Molecular Weight: | 118.14 |
Molecular Formula: | C7H6N2 |
Canonical SMILES: | CC1=NN=C(C=C1)C#C |
InChI: | InChI=1S/C7H6N2/c1-3-7-5-4-6(2)8-9-7/h1,4-5H,2H3 |
InChI Key: | QEDQKQRYAKDYOW-UHFFFAOYSA-N |
Melting Point: | >89°C (dec.) |
Solubility: | Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Light Brown to Brown Solid |
Storage: | -20°C, Inert atmosphere |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.0530982 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.0530982 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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