2-Methyl-2-phenoxypropionic Acid - CAS 943-45-3

Catalog:	BB041279
Product Name:	2-Methyl-2-phenoxypropionic Acid
CAS:	943-45-3
Synonyms:	2-methyl-2-phenoxypropanoic acid; 2-methyl-2-phenoxypropanoic acid

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Computed Properties

IUPAC Name:	2-methyl-2-phenoxypropanoic acid
Description:	2-Methyl-2-phenoxypropionic Acid (CAS# 943-45-3) is a useful research chemical compound.
Molecular Weight:	180.20
Molecular Formula:	C10H12O3
Canonical SMILES:	CC(C)(C(=O)O)OC1=CC=CC=C1
InChI:	InChI=1S/C10H12O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChI Key:	ILPUOPPYSQEBNJ-UHFFFAOYSA-N
Boiling Point:	289.3 °C at 760 mmHg
Density:	1.143 g/cm³
LogP:	1.92860

Publication Number	Title	Priority Date
CN-112110869-A	Preparation method of HDI trimer with low free monomer content	20200925
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
WO-2021104645-A1	Rim block with improved scent performance	20191129
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020243590-A1	Pharmaceutical compositions comprising a fxr agonist and a fibrate for use in the treatment of cholestatic liver disease	20190530

PMID	Publication Date	Title	Journal
28352420	20130401	A Review of Currently Available Fenofibrate and Fenofibric Acid Formulations	Cardiology research
22687626	20120815	Fenofibrate lowers lipid accumulation in myotubes by modulating the PPARα/AMPK/FoxO1/ATGL pathway	Biochemical pharmacology
22551562	20120801	Relative efficacy of antilipemic agents in non-high-density lipoprotein cholesterol reduction	Journal of pharmacy practice
22508733	20120417	New fibrate use and acute renal outcomes in elderly adults: a population-based study	Annals of internal medicine
22217193	20120201	Pharmacologic prevention of microvascular and macrovascular complications in diabetes mellitus: implications of the results of recent clinical trials in type 2 diabetes	American journal of cardiovascular drugs : drugs, devices, and other interventions

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.078644241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9