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Propanedioic acid, [2-(2-pyridinyl)ethyl]-, diethyl ester

Propanedioic acid, [2-(2-pyridinyl)ethyl]-, diethyl ester - CAS 84199-92-8

Catalog:	BB053621
Product Name:	Propanedioic acid, [2-(2-pyridinyl)ethyl]-, diethyl ester
CAS:	84199-92-8
Synonyms:	AKOS017547885; CTK3D0739; Diethyl [2-(pyridin-2-yl)ethyl]propanedioate; diethyl 2-(2-pyridin-2-ylethyl)propanedioate

Technical Data

Computed Properties

IUPAC Name:	diethyl 2-(2-pyridin-2-ylethyl)propanedioate
Molecular Weight:	265.31
Molecular Formula:	C14H19NO4
Canonical SMILES:	CCOC(=O)C(CCC1=CC=CC=N1)C(=O)OCC
InChI:	InChI=1S/C14H19NO4/c1-3-18-13(16)12(14(17)19-4-2)9-8-11-7-5-6-10-15-11/h5-7,10,12H,3-4,8-9H2,1-2H3
InChI Key:	XVPMESFRZJJXGY-UHFFFAOYSA-N
Boiling Point:	370.8±37.0 °C at 760 mmHg
Density:	1.1±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1141669-47-7]
2-Amino-4-(1-imidazolyl)benzoic Acid

Pyridines

[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid
[2241983-13-9]
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.13140809
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.13140809
Rotatable Bond Count:	9
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2