6-Methyl-4,5-dihydropyridazin-3(2H)-one - CAS 5157-08-4
Catalog: |
BB027495 |
Product Name: |
6-Methyl-4,5-dihydropyridazin-3(2H)-one |
CAS: |
5157-08-4 |
Synonyms: |
3-methyl-4,5-dihydro-1H-pyridazin-6-one; 3-methyl-4,5-dihydro-1H-pyridazin-6-one |
IUPAC Name: | 3-methyl-4,5-dihydro-1H-pyridazin-6-one |
Description: | 6-Methyl-4,5-dihydropyridazin-3(2H)-one (CAS# 5157-08-4) is a useful research chemical. |
Molecular Weight: | 112.13 |
Molecular Formula: | C5H8N2O |
Canonical SMILES: | CC1=NNC(=O)CC1 |
InChI: | InChI=1S/C5H8N2O/c1-4-2-3-5(8)7-6-4/h2-3H2,1H3,(H,7,8) |
InChI Key: | VOTFXESXPPEARL-UHFFFAOYSA-N |
Density: | 1.24 g/cm3 |
LogP: | 0.03670 |
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-2019112024-A1 | Pyrrolidine compound | 20171208 |
CN-109890796-A | Weeding pyridazinone compound | 20161028 |
EP-3459941-A1 | Pyrrolidine derivative | 20160722 |
US-2020299273-A1 | Pyrrolidine derivative | 20160722 |
CN-109476639-B | Pyrrolidine derivatives | 20160722 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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