Ethyl 2-(3-Cyanophenoxy)acetate - CAS 55197-25-6

Name: Ethyl 2-(3-Cyanophenoxy)acetate
Brand: BOC Sciences
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Catalog:	BB028941
Product Name:	Ethyl 2-(3-Cyanophenoxy)acetate
CAS:	55197-25-6
Synonyms:	2-(3-cyanophenoxy)acetic acid ethyl ester; ethyl 2-(3-cyanophenoxy)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(3-cyanophenoxy)acetate
Description:	Ethyl 2-(3-Cyanophenoxy)acetate (CAS# 55197-25-6 ) is a useful research chemical.
Molecular Weight:	205.21
Molecular Formula:	C11H11NO3
Canonical SMILES:	CCOC(=O)COC1=CC=CC(=C1)C#N
InChI:	InChI=1S/C11H11NO3/c1-2-14-11(13)8-15-10-5-3-4-9(6-10)7-12/h3-6H,2,8H2,1H3
InChI Key:	ISWSRQNCRDFATO-UHFFFAOYSA-N
LogP:	1.50018

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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Publication Number	Title	Priority Date
WO-2014016789-A1	Pyrazolo[3,4-d]pyrimidin-4(5h)-one derivatives as pde9 inhibitors	20120726
JP-2013028575-A	Keap1 protein-binding compound, crystal of complex of Keap1 protein-binding compound and Keap1 protein, and method for producing the same	20110729
TW-200819429-A	Heterocyclic amide compounds and use thereof	20061027
AU-2007282465-A1	Sulfonamide compound or salt thereof	20060810
AU-2007282465-B2	Sulfonamide compound or salt thereof	20060810

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.07389321
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.07389321
Rotatable Bond Count:	5
Topological Polar Surface Area:	59.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6