1-(4-Pyridazinyl)ethanone - CAS 50901-46-7
Catalog: |
BB027253 |
Product Name: |
1-(4-Pyridazinyl)ethanone |
CAS: |
50901-46-7 |
Synonyms: |
1-(4-pyridazinyl)ethanone; 1-pyridazin-4-ylethanone |
IUPAC Name: | 1-pyridazin-4-ylethanone |
Description: | 1-(4-Pyridazinyl)ethanone (CAS# 50901-46-7) is a useful research chemical. |
Molecular Weight: | 122.12 |
Molecular Formula: | C6H6N2O |
Canonical SMILES: | CC(=O)C1=CN=NC=C1 |
InChI: | InChI=1S/C6H6N2O/c1-5(9)6-2-3-7-8-4-6/h2-4H,1H3 |
InChI Key: | IWFYWGOLMZIBQB-UHFFFAOYSA-N |
Boiling Point: | 285.872 °C at 760 mmHg |
Density: | 1.137 g/cm3 |
MDL: | MFCD13193354 |
LogP: | 0.67920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020106998-A1 | Compositions and methods of modulating short-chain dehydrogenase activity | 20181121 |
CN-113507931-A | Compositions and methods for modulating short-chain dehydrogenase activity | 20181121 |
EP-3883577-A1 | Compositions and methods of modulating short-chain dehydrogenase activity | 20181121 |
KR-20210119954-A | Compositions and methods for modulating short chain dehydrogenase activity | 20181121 |
WO-2019185875-A1 | Herbicidal compounds | 20180330 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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