Methyl 3-(4-Methoxyphenyl)-3-oxopropionate - CAS 22027-50-5

Catalog:	BB017299
Product Name:	Methyl 3-(4-Methoxyphenyl)-3-oxopropionate
CAS:	22027-50-5
Synonyms:	3-(4-methoxyphenyl)-3-oxopropanoic acid methyl ester; methyl 3-(4-methoxyphenyl)-3-oxopropanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-(4-methoxyphenyl)-3-oxopropanoate
Description:	Methyl 3-(4-Methoxyphenyl)-3-oxopropionate (CAS# 22027-50-5) is a useful research chemical.
Molecular Weight:	208.21
Molecular Formula:	C11H12O4
Canonical SMILES:	COC1=CC=C(C=C1)C(=O)CC(=O)OC
InChI:	InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2/h3-6H,7H2,1-2H3
InChI Key:	VXXOASOINNOPGR-UHFFFAOYSA-N
Boiling Point:	322.9 °C at 760 mmHg
Density:	1.157 g/cm³
LogP:	1.44100

Publication Number	Title	Priority Date
WO-2021110142-A1	Substituted imidazolecarboxamide as bruton's tyrosine kinase inhibitors	20191204
US-10047237-B2	Conductive material and substrate	20151222
US-2017174922-A1	Conductive material and substrate	20151222
US-10023752-B2	Conductive material and substrate	20151109
US-2017130070-A1	Conductive material and substrate	20151109

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-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:	229
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:	1.6