2-Cyano-3-(4-methoxyphenyl)propionic Acid - CAS 36397-19-0

Catalog:	BB022955
Product Name:	2-Cyano-3-(4-methoxyphenyl)propionic Acid
CAS:	36397-19-0
Synonyms:	2-cyano-3-(4-methoxyphenyl)propanoic acid; 2-cyano-3-(4-methoxyphenyl)propanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-cyano-3-(4-methoxyphenyl)propanoic acid
Description:	2-Cyano-3-(4-methoxyphenyl)propionic Acid (CAS# 36397-19-0 ) is a useful research chemical.
Molecular Weight:	205.21
Molecular Formula:	C11H11NO3
Canonical SMILES:	COC1=CC=C(C=C1)CC(C#N)C(=O)O
InChI:	InChI=1S/C11H11NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-5,9H,6H2,1H3,(H,13,14)
InChI Key:	QILGOCXNADJVBY-UHFFFAOYSA-N
Boiling Point:	397 °C at 760 mmHg
Density:	1.224 g/cm³
LogP:	1.46208

Publication Number	Title	Priority Date
EP-0182815-A1	Benzocyclobutene aminoalkylene ethers and thioethers, and their pharmaceutical uses	19840427
EP-0182815-A4	BENZOCYCLOBUTEN AMINOALKYLENE ETHERS AND THIOATHERS, AND THEIR USE AS MEDICINAL PRODUCTS.	19840427
US-4588719-A	Bicyclic benzenoid aminoalkylene ethers and thioethers, pharmaceutical compositions and use	19840427
US-4743600-A	Benzocyclobutene aminoalkylene ethers and thioethers, pharmaceutical compositions and use	19840427
WO-8505032-A1	Benzocyclobutene aminoalkylene ethers and thioethers, and their pharmaceutical uses	19840427

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	260
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.07389321
Rotatable Bond Count:	4
Topological Polar Surface Area:	70.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6