2-Hydroxy-4'-methoxyacetophenone - CAS 4136-21-4

Name: 2-Hydroxy-4'-methoxyacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024865
Product Name:	2-Hydroxy-4'-methoxyacetophenone
CAS:	4136-21-4
Synonyms:	2-hydroxy-1-(4-methoxyphenyl)ethanone; 2-hydroxy-1-(4-methoxyphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-1-(4-methoxyphenyl)ethanone
Description:	2-Hydroxy-4'-methoxyacetophenone (CAS# 4136-21-4) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	COC1=CC=C(C=C1)C(=O)CO
InChI:	InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3
InChI Key:	YTOKFOPFITZGDM-UHFFFAOYSA-N
Boiling Point:	316.6 °C at 760 mmHg
Density:	1.166 g/cm³
Appearance:	Off-white powder
MDL:	MFCD00004668
LogP:	0.87020

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H315 (50%): 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

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PMID	Publication Date	Title	Journal
22058812	20111001	2-{(1E)-1-[(3-{(E)-[1-(2-Hy-droxy-4-meth-oxy-phen-yl)ethyl-idene]amino}-2,2-di-methyl-prop-yl)imino]-eth-yl}-5-meth-oxy-phenol	Acta crystallographica. Section E, Structure reports online
21547943	20110701	Precision studies in supramolecular chemistry: a 1H NMR study of hydroxymethoxyacetophenone/β-cyclodextrin complexes	Magnetic resonance in chemistry : MRC
21334967	20110501	Synthesis and characterization of Mo(VI) complexes derived from ONO donor acylhydrazones	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21754113	20110401	1-(2-Hy-droxy-4-meth-oxy-phen-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21583675	20090725	1-(5-Bromo-2-hydr-oxy-4-methoxy-phen-yl)ethanone	Acta crystallographica. Section E, Structure reports online

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1