2-Hydroxy-4'-methylacetophenone - CAS 4079-54-3

Catalog:	BB024670
Product Name:	2-Hydroxy-4'-methylacetophenone
CAS:	4079-54-3
Synonyms:	2-hydroxy-1-(4-methylphenyl)ethanone; 2-hydroxy-1-(4-methylphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-1-(4-methylphenyl)ethanone
Description:	2-Hydroxy-4'-methylacetophenone (CAS# 4079-54-3) is a useful research chemical.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)CO
InChI:	InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,10H,6H2,1H3
InChI Key:	BFOWHGYYZRTDOV-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Density:	1.114 g/cm³
MDL:	MFCD07778990
LogP:	1.17000

Publication Number	Title	Priority Date
WO-2021053336-A1	Acylation coupling method	20190919
EP-3315028-A1	Inhibitors of nlp proteins as phytopharmaceuticals for plant pathogen control	20161027
EP-3315028-B1	Use of inhibitors of nlp proteins as phytopharmaceuticals for plant pathogen control	20161027
CN-106316813-B	3-substituted 3-vinyl-2-hydroxy-1-aryl acetone and synthesis method thereof	20160816
US-2018044284-A1	Non-ionic low diffusing photo-acid generators	20160812

PMID	Publication Date	Title	Journal
22429095	20120411	Acaricidal toxicity of 2'-hydroxy-4'-methylacetophenone isolated from Angelicae koreana roots and structure-activity relationships of its derivatives	Journal of agricultural and food chemistry
22091144	20110801	(E)-1-(4-Meth-oxy-phen-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
16737293	20060608	Total synthesis of (+/-)-paeonilide	Organic letters

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Related Functional Groups

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Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4