3-Methoxyphenylacetone - CAS 3027-13-2

Catalog:	BB020511
Product Name:	3-Methoxyphenylacetone
CAS:	3027-13-2
Synonyms:	1-(3-methoxyphenyl)propan-2-one

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Computed Properties

IUPAC Name:	1-(3-methoxyphenyl)propan-2-one
Description:	3-Methoxyphenylacetone (CAS# 3027-13-2 ) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC(=O)CC1=CC(=CC=C1)OC
InChI:	InChI=1S/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3
InChI Key:	RMMRRRLPDBJBQL-UHFFFAOYSA-N
Boiling Point:	258-260 °C (lit.)
Melting Point:	258 °C
Purity:	95 %
Density:	1.911 g/cm³
Appearance:	Liquid
MDL:	MFCD00008771
LogP:	1.82670

Publication Number	Title	Priority Date
CN-110054552-A	The preparation method and application of the substitution alkyl phenyl acetone of 1,3- bis-	20190508
CN-110054557-A	A kind of 1,3- bis- replaces the preparation method of alkyl phenyl acetone	20190508
WO-2020204733-A1	A solvent drying composition and processes therfor	20190403
TW-202104480-A	A solvent drying composition and processes therfor	20190403
KR-20190139640-A	Composition for preventing or treating solid tumor comprising compound inhibiting interactions between AIMP2-DX2 and K-Ras and novel compound inhibiting interactions between AIMP2-DX2 and K-Ras	20180608

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Related Functional Groups

Carbonyl Compounds

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[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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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:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7