Methyl 4-(4-Methylphenyl)-4-oxobutanoate - CAS 57498-54-1

Name: Methyl 4-(4-Methylphenyl)-4-oxobutanoate
Brand: BOC Sciences
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Catalog:	BB029724
Product Name:	Methyl 4-(4-Methylphenyl)-4-oxobutanoate
CAS:	57498-54-1
Synonyms:	4-(4-methylphenyl)-4-oxobutanoic acid methyl ester; methyl 4-(4-methylphenyl)-4-oxobutanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-(4-methylphenyl)-4-oxobutanoate
Description:	Methyl 4-(4-Methylphenyl)-4-oxobutanoate (CAS# 57498-54-1) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C12H14O3
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)CCC(=O)OC
InChI:	InChI=1S/C12H14O3/c1-9-3-5-10(6-4-9)11(13)7-8-12(14)15-2/h3-6H,7-8H2,1-2H3
InChI Key:	GDNLLWLWRRVVEZ-UHFFFAOYSA-N
Boiling Point:	330.2 °C at 760 mmHg
Density:	1.084 g/cm³
LogP:	2.13090

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Related Functional Groups

Carbonyl Compounds

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Oxiran-2-yl(phenyl)methanone
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Publication Number	Title	Priority Date
WO-2021068755-A1	Compound having brd4 inhibitory activity, preparation method therefor and use thereof	20191008
US-8367662-B2	Organic compounds	20071017
EP-1803722-A1	Imidazo[1,2-a]pyridin-3-yl-acetic acid hydrazides, processes for their preparation and pharmaceutical uses thereof	20060103
EP-1973907-B1	Imidazo (1,2-a)pyridin-3-yl-acetic acid hydrazides, processes for their preparation and pharmaceutical uses thereof	20060103
US-2009176777-A1	Imidazo (1,2-a)Pyridin-3-YL-Acetic Acid Hydrazides, Proesses for Their Preparation and Pharmaceutical Uses Thereof	20060103

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.094294304
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7