Methyl 3-Oxo-3-(4-methylphenyl)propionate - CAS 22027-51-6

Catalog:	BB017300
Product Name:	Methyl 3-Oxo-3-(4-methylphenyl)propionate
CAS:	22027-51-6
Synonyms:	3-(4-methylphenyl)-3-oxopropanoic acid methyl ester; methyl 3-(4-methylphenyl)-3-oxopropanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-(4-methylphenyl)-3-oxopropanoate
Description:	Methyl 3-Oxo-3-(4-methylphenyl)propionate (CAS# 22027-51-6) is a useful research chemical compound.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)CC(=O)OC
InChI:	InChI=1S/C11H12O3/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6H,7H2,1-2H3
InChI Key:	BIKPAXOCIFGWRJ-UHFFFAOYSA-N
Boiling Point:	276.1 °C at 760 mmHg
Density:	1.106 g/cm³
MDL:	MFCD03424778
LogP:	1.74080

Publication Number	Title	Priority Date
CN-112694549-A	Coumarin derivative photoinitiator, and preparation method and application thereof	20201229
JP-2014234355-A	Method for fluorinating carbonyl compound by using catalytic amount of super-valent iodine reagent	20130531
EP-2909243-A1	3-ketocoumarines for led photocuring	20121022
EP-2909243-B1	3-ketocoumarines for led photocuring	20121022
JP-2015536359-A	3-ketocoumarin for LED light curing	20121022

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	215
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