Methyl 3-(3-Methoxyphenyl)-3-oxopropionate - CAS 779-81-7

Catalog:	BB036092
Product Name:	Methyl 3-(3-Methoxyphenyl)-3-oxopropionate
CAS:	779-81-7
Synonyms:	3-(3-methoxyphenyl)-3-oxopropanoic acid methyl ester; methyl 3-(3-methoxyphenyl)-3-oxopropanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-(3-methoxyphenyl)-3-oxopropanoate
Description:	Methyl 3-(3-Methoxyphenyl)-3-oxopropionate (CAS# 779-81-7 ) is a useful research chemical.
Molecular Weight:	208.21
Molecular Formula:	C11H12O4
Canonical SMILES:	COC1=CC=CC(=C1)C(=O)CC(=O)OC
InChI:	InChI=1S/C11H12O4/c1-14-9-5-3-4-8(6-9)10(12)7-11(13)15-2/h3-6H,7H2,1-2H3
InChI Key:	LWDDRIZJCLYGJZ-UHFFFAOYSA-N
Boiling Point:	120 °C / 0.23 mmHg
Density:	1.147 g/cm³
Appearance:	Liquid
LogP:	1.44100

Publication Number	Title	Priority Date
WO-2020243457-A1	Compounds and therapeutic uses thereof	20190529
JP-2014234355-A	Method for fluorinating carbonyl compound by using catalytic amount of super-valent iodine reagent	20130531
WO-2013144191-A1	Substituted 2-amino-3-cyanopyridines as inhibitors of sodium-calcium exchange and use thereof for cardiovascular diseases	20120329
US-2012277224-A1	Heterocyclic compounds for the inhibition of pask	20110426
WO-2012149157-A2	Heterocyclic compounds for the inhibition of pask	20110426

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

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:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.07355886
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.07355886
Rotatable Bond Count:	5
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9