1,4-Dimethoxy-2-butyne - CAS 16356-02-8

Catalog:	BB012012
Product Name:	1,4-Dimethoxy-2-butyne
CAS:	16356-02-8
Synonyms:	1,4-dimethoxybut-2-yne

Technical Data

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Computed Properties

IUPAC Name:	1,4-dimethoxybut-2-yne
Description:	1,4-Dimethoxy-2-butyne (CAS# 16356-02-8 ) is a useful research chemical.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	COCC#CCOC
InChI:	InChI=1S/C6H10O2/c1-7-5-3-4-6-8-2/h5-6H2,1-2H3
InChI Key:	YFUQYYGBJJCAPR-UHFFFAOYSA-N
Boiling Point:	70 °C / 30 mmHg (lit.)
Density:	0.944 g/mL at 25 °C(lit.)
Appearance:	Colorless liquid
MDL:	MFCD00048069
LogP:	0.28260

Publication Number	Title	Priority Date
WO-2021083380-A1	Eed inhibitor, and preparation method therefor and use thereof	20191101
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
JP-2019206676-A	Polymer compound, method for producing polymer compound, and use thereof	20180530
US-2017288144-A1	All solid state secondary battery, solid electrolyte composition used therefor, electrode sheet for battery, and method for manufacturing electrode sheet for battery and all solid state secondary battery	20150204
US-8507522-B2	Hepatitis C virus inhibitors	20090306

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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:	85.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0