Ethyl Pyridazine-4-carboxylate - CAS 39123-39-2

Catalog:	BB023847
Product Name:	Ethyl Pyridazine-4-carboxylate
CAS:	39123-39-2
Synonyms:	4-pyridazinecarboxylic acid ethyl ester; ethyl pyridazine-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl pyridazine-4-carboxylate
Description:	Ethyl Pyridazine-4-carboxylate (CAS# 39123-39-2) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	CCOC(=O)C1=CN=NC=C1
InChI:	InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-9-5-6/h3-5H,2H2,1H3
InChI Key:	FVBGGKYTKXFLOV-UHFFFAOYSA-N
Boiling Point:	290.915 °C at 760 mmHg
Density:	1.168 g/cm³
LogP:	0.65330

Publication Number	Title	Priority Date
WO-2020219448-A1	Naphthyridine derivatives as prc2 inhibitors	20190422
CN-112236172-A	Methods and compounds for treating disorders	20180130
CN-110691598-A	Metalloenzyme inhibitor compounds	20161229
US-10865208-B2	ATG7 inhibitors and the uses thereof	20161111
KR-20150042256-A	Bicyclic heteroaryl cycloalkyldiamine derivatives as inhibitors of spleen tyrosine kinases (syk)	20120813

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.058577502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2