9-Undecyn-1-ol - CAS 177961-61-4

Catalog:	BB013361
Product Name:	9-Undecyn-1-ol
CAS:	177961-61-4
Synonyms:	undec-9-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	undec-9-yn-1-ol
Description:	9-Undecyn-1-ol (CAS# 177961-61-4 ) is a useful research chemical.
Molecular Weight:	168.28
Molecular Formula:	C11H20O
Canonical SMILES:	CC#CCCCCCCCCO
InChI:	InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,4-11H2,1H3
InChI Key:	YSDWKSIWEWYTEF-UHFFFAOYSA-N
Boiling Point:	92-93 °C / 0.03 mmHg
Purity:	95 %
Density:	0.866 g/mL at 25 °C
Appearance:	Colorless to yellow liquid
LogP:	2.73270

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
US-2020385360-A1	Using stereoretention for the stereoselective formation of e-macrocycles with ru-based olefin metathesis catalysts	20171206
KR-101476271-B1	Ultra sensitive and high selective composition or fluorescence chemosensor for sensing copper ion	20130611
KR-20140144474-A	Ultra sensitive and high selective composition or fluorescence chemosensor for sensing copper ion	20130611
WO-2014200164-A1	Composition having ultra-high sensitivity and high selectivity for detecting copper ion and fluorescent chemical sensor	20130611

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.151415257
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.151415257
Rotatable Bond Count:	7
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6