Ethyl 3-Methylpyridazine-4-carboxylate - CAS 98832-80-5

Name: Ethyl 3-Methylpyridazine-4-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB042221
Product Name:	Ethyl 3-Methylpyridazine-4-carboxylate
CAS:	98832-80-5
Synonyms:	3-methyl-4-pyridazinecarboxylic acid ethyl ester; ethyl 3-methylpyridazine-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-methylpyridazine-4-carboxylate
Description:	Ethyl 3-Methylpyridazine-4-carboxylate (CAS# 98832-80-5) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CCOC(=O)C1=C(N=NC=C1)C
InChI:	InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-5-9-10-6(7)2/h4-5H,3H2,1-2H3
InChI Key:	TVAAFELLTHKOFM-UHFFFAOYSA-N
Appearance:	Yellow to brown solid
MDL:	MFCD11506291
LogP:	0.96170

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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Publication Number	Title	Priority Date
CA-2986651-A1	Benzoxazinone derivatives and analogues thereof as modulators of tnf activity	20150608
EA-034977-B1	DERIVATIVES OF BENZOXASININ AND ITS ANALOGUES AS TNF ACTIVITY MODULATORS	20150608
EP-3303318-A1	Benzoxazinone derivatives and analogues thereof as modulators of tnf activity	20150608
JP-2018521025-A	Benzoxazinone derivatives and analogs thereof as modulators of TNF activity	20150608
US-10287299-B2	Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity	20150608

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.074227566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5