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1-Undecyne

CAS No.:
2243-98-3
Catalog Number:
AG003EO6
Molecular Formula:
C11H20
Molecular Weight:
152.2765
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Product Description
Catalog Number:
AG003EO6
Chemical Name:
1-Undecyne
CAS Number:
2243-98-3
Molecular Formula:
C11H20
Molecular Weight:
152.2765
MDL Number:
MFCD00015063
IUPAC Name:
undec-1-yne
InChI:
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3
InChI Key:
YVSFLVNWJIEJRV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC#C
EC Number:
218-825-1
UNII:
Y07U3Q24US
NSC Number:
87633
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.157g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.281g/mol
Monoisotopic Mass:
152.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
Unimolecular dissociation of anthracene and acridine cations: the importance of isomerization barriers for the C2H2 loss and HCN loss channels. The Journal of chemical physics 20110828
Improvement of antifungal activity of 10-undecyn-1-ol by inclusion complexation with cyclodextrin derivatives. Journal of agricultural and food chemistry 20080528
GM3, GM2 and GM1 mimics designed for biosensing: chemoenzymatic synthesis, target affinities and 900 MHz NMR analysis. Carbohydrate research 20080317
Properties