3-Hexyn-2-ol - CAS 109-50-2

Catalog:	BB002502
Product Name:	3-Hexyn-2-ol
CAS:	109-50-2
Synonyms:	hex-3-yn-2-ol

Technical Data

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Computed Properties

IUPAC Name:	hex-3-yn-2-ol
Description:	3-Hexyn-2-ol (CAS# 109-50-2) is used in the synthesis of highly substituted furans in addition to being used in the preparation of phosphorofluidic acid ammonium salts.
Molecular Weight:	98.14
Molecular Formula:	C6H10O
Canonical SMILES:	CCC#CC(C)O
InChI:	InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3
InChI Key:	IFCAMPHNVKBSTF-UHFFFAOYSA-N
Boiling Point:	80 °C
Density:	0.909 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00041586
LogP:	0.78060

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
WO-2019149228-A1	Substituted imidazole formate derivative and use thereof	20180130
EP-3747869-A1	Substituted imidazole formate derivative and use thereof	20180130
US-2020369621-A1	Substituted imidazolecarboxylate derivatives and the use thereof	20180130
EP-3668883-A1	Orthoester compositions for affinity purification of oligonucleotides	20170818

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501
Signal Word:	Warning

Complexity:	93.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.073164938
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	98.073164938
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1