Ethyl 2-(4-Acetylphenyl)acetate - CAS 1528-42-3

Catalog:	BB010823
Product Name:	Ethyl 2-(4-Acetylphenyl)acetate
CAS:	1528-42-3
Synonyms:	2-(4-acetylphenyl)acetic acid ethyl ester; ethyl 2-(4-acetylphenyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(4-acetylphenyl)acetate
Description:	Ethyl 2-(4-Acetylphenyl)acetate (CAS# 1528-42-3) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C12H14O3
Canonical SMILES:	CCOC(=O)CC1=CC=C(C=C1)C(=O)C
InChI:	InChI=1S/C12H14O3/c1-3-15-12(14)8-10-4-6-11(7-5-10)9(2)13/h4-7H,3,8H2,1-2H3
InChI Key:	UYKWAZSTKGYKOG-UHFFFAOYSA-N
Boiling Point:	315.5 °C at 760 mmHg
Density:	1.083 g/cm³
LogP:	1.99480

Publication Number	Title	Priority Date
WO-2019136022-A1	Periodontal disease therapy	20180102
US-2020383902-A1	Periodontal disease therapy	20180102
US-10364208-B2	Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis	20170105
US-2018186721-A1	Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis	20170105
EP-3181545-A1	Method for producing triphenylbutene derivative	20140916

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Related Functional Groups

Carbonyl Compounds

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[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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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:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.094294304
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2