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

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

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

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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