Diethyl 2-Methyl-2-(4-nitrophenyl)malonate - CAS 61881-49-0

Catalog:	BB031303
Product Name:	Diethyl 2-Methyl-2-(4-nitrophenyl)malonate
CAS:	61881-49-0
Synonyms:	2-methyl-2-(4-nitrophenyl)propanedioic acid diethyl ester; diethyl 2-methyl-2-(4-nitrophenyl)propanedioate

Technical Data

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Computed Properties

IUPAC Name:	diethyl 2-methyl-2-(4-nitrophenyl)propanedioate
Description:	Diethyl 2-Methyl-2-(4-nitrophenyl)malonate (CAS# 61881-49-0 ) is a useful research chemical.
Molecular Weight:	295.29
Molecular Formula:	C14H17NO6
Canonical SMILES:	CCOC(=O)C(C)(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC
InChI:	InChI=1S/C14H17NO6/c1-4-20-12(16)14(3,13(17)21-5-2)10-6-8-11(9-7-10)15(18)19/h6-9H,4-5H2,1-3H3
InChI Key:	MOUBYACUXWWHSC-UHFFFAOYSA-N
LogP:	2.50190

Publication Number	Title	Priority Date
EP-2675811-A1	Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation	20110217
JP-2014506887-A	Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation	20110217
US-2013053404-A1	Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation	20110217
WO-2012110599-A1	Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation	20110217
AU-2011226073-A1	4-Phenyl pyridine analogues as protein kinase inhibitors.	20100310

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Complexity:	377
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.10558726
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.10558726
Rotatable Bond Count:	7
Topological Polar Surface Area:	98.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8