2-methoxy-3-phenylpropanoic acid - CAS 78814-96-7

Catalog:	BB060264
Product Name:	2-methoxy-3-phenylpropanoic acid
CAS:	78814-96-7
Synonyms:	2-methoxy-3-phenylpropanoic acid; 2-methoxy-3-phenylpropanoicacid; alpha-methoxy-beta-phenylpropanoic acid

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Computed Properties

IUPAC Name:	2-methoxy-3-phenylpropanoic acid
Description:	2-methoxy-3-phenylpropanoic acid (cas# 78814-96-7) is a useful research chemical.
Molecular Weight:	180.2
Molecular Formula:	C10H12O3
Canonical SMILES:	COC(CC1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChI Key:	VOAUBXLCHZVCPI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2019100710-A1	Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same	20170929
WO-2019067061-A1	ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND METHODS OF MAKING THE SAME	20170929
EP-3688124-A1	Ester compounds, lubricating oil compositions containing same and processes for making same	20170929
US-10711216-B2	Ester compounds, lubricating oil compositions containing same and processes for making same	20170929
US-10233403-B2	High viscosity index monomethyl ester lubricating oil base stocks and methods of making and use thereof	20161103
US-2018119045-A1	High viscosity index monomethyl ester lubricating oil base stocks and methods of making and use thereof	20161103
WO-2018080166-A2	3,4,5-trimethoxycinnamic acid ester derivative, method for preparing same, and skin whitening composition comprising same	20161026
US-2018086682-A1	Processes for preparing vinylidene dimer derivatives	20160927
WO-2018063602-A1	Processes for preparing vinylidene dimer derivatives	20160927
EP-3397736-A2	Low viscosity low volatility lubricating oil base stocks and methods of use thereof	20151228

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	162
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:	4
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7