Ethyl 3-(4-Pyridyl)propanoate - CAS 52809-19-5

Catalog:	BB027955
Product Name:	Ethyl 3-(4-Pyridyl)propanoate
CAS:	52809-19-5
Synonyms:	3-pyridin-4-ylpropanoic acid ethyl ester; ethyl 3-pyridin-4-ylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-pyridin-4-ylpropanoate
Description:	Ethyl 3-(4-Pyridyl)propanoate (CAS# 52809-19-5 ) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CCOC(=O)CCC1=CC=NC=C1
InChI:	InChI=1S/C10H13NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h5-8H,2-4H2,1H3
InChI Key:	ZDXRSMCFRIFFNK-UHFFFAOYSA-N
LogP:	1.57730

Publication Number	Title	Priority Date
JP-6948680-B2	Compounds for the treatment of metabolic diseases, methods for producing them, and applications	20171219
TW-201524957-A	Substituted ketopyridine derivatives	20130328
TW-I633089-B	Substituted ketopyridine derivatives	20130328
US-2013065857-A1	Novel dxr inhibitors for antimicrobial therapy	20091012
WO-2011046920-A1	Novel dxr inhibitors for antimicrobial therapy	20091012

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.094628657
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.094628657
Rotatable Bond Count:	5
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1