Methyl 3-Oxo-3-(2-methylphenyl)propionate - CAS 147501-26-6

Catalog:	BB010203
Product Name:	Methyl 3-Oxo-3-(2-methylphenyl)propionate
CAS:	147501-26-6
Synonyms:	3-(2-methylphenyl)-3-oxopropanoic acid methyl ester; methyl 3-(2-methylphenyl)-3-oxopropanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-(2-methylphenyl)-3-oxopropanoate
Description:	Methyl 3-Oxo-3-(2-methylphenyl)propionate (CAS# 147501-26-6 ) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	CC1=CC=CC=C1C(=O)CC(=O)OC
InChI:	InChI=1S/C11H12O3/c1-8-5-3-4-6-9(8)10(12)7-11(13)14-2/h3-6H,7H2,1-2H3
InChI Key:	JWIUIMDIPDFRDI-UHFFFAOYSA-N
LogP:	1.74080

Publication Number	Title	Priority Date
JP-2014234355-A	Method for fluorinating carbonyl compound by using catalytic amount of super-valent iodine reagent	20130531
AU-2014224579-A1	Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals	20130308
AU-2014224579-B2	Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals	20130308
CA-2901220-A1	Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals	20130308
EP-2964623-A1	Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals	20130308

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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:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2