3-Cyclohexyl-1-propyne - CAS 17715-00-3

Catalog:	BB013272
Product Name:	3-Cyclohexyl-1-propyne
CAS:	17715-00-3
Synonyms:	prop-2-ynylcyclohexane

Technical Data

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Computed Properties

IUPAC Name:	prop-2-ynylcyclohexane
Description:	3-Cyclohexyl-1-propyne (CAS# 17715-00-3) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	122.21
Molecular Formula:	C9H14
Canonical SMILES:	C#CCC1CCCCC1
InChI:	InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H2
InChI Key:	UARFKZSJGDQRLF-UHFFFAOYSA-N
Boiling Point:	158.2 °C at 760 mmHg
Density:	0.845 g/cm³
MDL:	MFCD00041562
LogP:	2.59000

Publication Number	Title	Priority Date
JP-2021151996-A	Pharmaceutical composition containing a phenylacetic acid compound	20200319
CN-111039773-A	Method for synthesizing Î± -acrylic acid compound by catalyzing carbon dioxide and alkyne with palladium	20191225
CN-111039773-B	Method for synthesizing alpha-acrylic acid compound by catalyzing carbon dioxide and alkyne with palladium	20191225
WO-2021129082-A1	METHOD FOR SYNTHESIZING Î±-ACRYLIC ACID COMPOUND BY USING PALLADIUM TO CATALYZE CARBON DIOXIDE AND ALKYNE	20191225
CN-110627610-A	Method for synthesizing alkyne by catalyzing asymmetric cross coupling	20190829

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Related Functional Groups

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P310, P330, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.109550447
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.109550447
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5