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Methyl 6-Oxo-1,6-dihydropyridazine-3-carboxylate

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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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

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Carbonyl Compounds

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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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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

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