Methyl 6-Oxo-1,6-dihydropyridazine-3-carboxylate - CAS 63001-30-9
Catalog: |
BB031933 |
Product Name: |
Methyl 6-Oxo-1,6-dihydropyridazine-3-carboxylate |
CAS: |
63001-30-9 |
Synonyms: |
6-oxo-1H-pyridazine-3-carboxylic acid methyl ester; methyl 6-oxo-1H-pyridazine-3-carboxylate |
IUPAC Name: | methyl 6-oxo-1H-pyridazine-3-carboxylate |
Description: | Methyl 6-Oxo-1,6-dihydropyridazine-3-carboxylate (CAS# 63001-30-9) is a useful research chemical. |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | COC(=O)C1=NNC(=O)C=C1 |
InChI: | InChI=1S/C6H6N2O3/c1-11-6(10)4-2-3-5(9)8-7-4/h2-3H,1H3,(H,8,9) |
InChI Key: | REYKVZJYIFOXTI-UHFFFAOYSA-N |
Density: | 1.399 g/cm3 |
MDL: | MFCD17015975 |
LogP: | -0.44350 |
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 |
CN-112979655-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 20191216 |
WO-2021121294-A1 | Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof | 20191216 |
WO-2021097240-A1 | Compounds and uses thereof | 20191113 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2020185755-A1 | Tyk2 inhibitors and uses thereof | 20190311 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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