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(3-Methoxyphenylethynyl)trimethylsilane

(3-Methoxyphenylethynyl)trimethylsilane - CAS 40230-92-0

Catalog:	BB024378
Product Name:	(3-Methoxyphenylethynyl)trimethylsilane
CAS:	40230-92-0
Synonyms:	2-(3-methoxyphenyl)ethynyl-trimethylsilane

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Computed Properties

IUPAC Name:	2-(3-methoxyphenyl)ethynyl-trimethylsilane
Description:	(3-Methoxyphenylethynyl)trimethylsilane (CAS# 40230-92-0 ) is a useful research chemical.
Molecular Weight:	204.34
Molecular Formula:	C12H16OSi
Canonical SMILES:	COC1=CC=CC(=C1)C#C[Si](C)(C)C
InChI:	InChI=1S/C12H16OSi/c1-13-12-7-5-6-11(10-12)8-9-14(2,3)4/h5-7,10H,1-4H3
InChI Key:	QTRRBVKHHBFICK-UHFFFAOYSA-N
Boiling Point:	65-70 °C / 0.1 mmHg (lit.)
Density:	0.940 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD03701606
LogP:	2.92410

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
AU-2006239632-A1	Novel AZA- heterocycles serving as kinase inhibitors	20050425
AU-2006239632-B2	Novel AZA- heterocycles serving as kinase inhibitors	20050425
CA-2605738-C	Novel azaheterocyclic compounds as kinase inhibitors	20050425
US-2008176892-A1	Novel Azaheterocyclic Compounds as Kinase Inhibitors	20050425

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.097041664
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.097041664
Rotatable Bond Count:	3
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0