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Ethyl 3-(4-Isopropylphenyl)-3-oxopropionate

Ethyl 3-(4-Isopropylphenyl)-3-oxopropionate - CAS 54957-66-3

Catalog:	BB028869
Product Name:	Ethyl 3-(4-Isopropylphenyl)-3-oxopropionate
CAS:	54957-66-3
Synonyms:	3-oxo-3-(4-propan-2-ylphenyl)propanoic acid ethyl ester; ethyl 3-oxo-3-(4-propan-2-ylphenyl)propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-oxo-3-(4-propan-2-ylphenyl)propanoate
Description:	Ethyl 3-(4-Isopropylphenyl)-3-oxopropionate (CAS# 54957-66-3) is a useful research chemical.
Molecular Weight:	234.29
Molecular Formula:	C14H18O3
Canonical SMILES:	CCOC(=O)CC(=O)C1=CC=C(C=C1)C(C)C
InChI:	InChI=1S/C14H18O3/c1-4-17-14(16)9-13(15)12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3
InChI Key:	FQZYAOSIMPAQNW-UHFFFAOYSA-N
LogP:	2.94590

Publication Number	Title	Priority Date
WO-2012093174-A1	1-(6-membered azo-heterocyclic)-2,5-dihydro-1h-pyrrol-2-one derivatives as anti-hepatitis c virus, the pharmaceutical composition thereof and their therapeutic use	20110107
CA-1244436-A	4-quinolone derivatives	19820614
EP-0104959-A1	4-Quinolone derivatives	19820614
EP-0104959-B1	4-quinolone derivatives	19820614
US-4711898-A	4-quinolone derivatives having anti-inflammatory, anti-allergic, antitussive, expectorant and antithrombotic activity	19820614

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Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.125594432
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.125594432
Rotatable Bond Count:	6
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3