alpha-Ethoxyphenylacetic Acid - CAS 33224-99-6

Catalog:	BB021613
Product Name:	alpha-Ethoxyphenylacetic Acid
CAS:	33224-99-6
Synonyms:	2-ethoxy-2-phenylacetic acid; 2-ethoxy-2-phenylacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-ethoxy-2-phenylacetic acid
Description:	alpha-Ethoxyphenylacetic Acid (CAS# 33224-99-6) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C10H12O3
Canonical SMILES:	CCOC(C1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C10H12O3/c1-2-13-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChI Key:	XBLYVSAKBBNYDO-UHFFFAOYSA-N
LogP:	1.84880

Publication Number	Title	Priority Date
CN-110240539-A	A kind of fluorine substituted diphenylamine ethane compound and preparation method and application	20190611
CN-109796351-A	A kind of novel preparation method of drotaverine hydrochloride intermediate	20181225
CN-107722000-A	The preparation of the berberinc derivate of 9-substitution and its medical usage	20171103
US-2020102275-A1	Carboxylic acid derivative as at2r receptor antagonist	20170609
US-11021445-B2	Carboxylic acid derivative as AT2R receptor antagonist	20170609

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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, P310, P312, P321, P332+P313, P362, 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:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7