Ethyl 3-(3-Hydroxyphenyl)-3-oxopropanoate - CAS 77103-49-2

Catalog:	BB035801
Product Name:	Ethyl 3-(3-Hydroxyphenyl)-3-oxopropanoate
CAS:	77103-49-2
Synonyms:	3-(3-hydroxyphenyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(3-hydroxyphenyl)-3-oxopropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-(3-hydroxyphenyl)-3-oxopropanoate
Description:	Ethyl 3-(3-Hydroxyphenyl)-3-oxopropanoate (CAS# 77103-49-2) is part of a wide array of compounds used in the synthetic preparation of heteroaryl compounds as metabotropic glutamate receptor negative allosteric modulators.
Molecular Weight:	208.21
Molecular Formula:	C11H12O4
Canonical SMILES:	CCOC(=O)CC(=O)C1=CC(=CC=C1)O
InChI:	InChI=1S/C11H12O4/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6,12H,2,7H2,1H3
InChI Key:	YPJAPEQIQIIHDG-UHFFFAOYSA-N
LogP:	1.52810

Publication Number	Title	Priority Date
CN-111825611-A	4(1H) -quinovone derivatives and uses thereof	20190419
US-2020330449-A1	4(1h)-quinolone derivatives and uses thereof	20190419
TW-202039439-A	4(1h)-quinolone derivatives and uses thereof	20190419
AU-2015274781-A1	Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof	20140610
AU-2015274781-C1	Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof	20140610

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.07355886
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.07355886
Rotatable Bond Count:	5
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5