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1-Heptyne

CAS No.:
628-71-7
Catalog Number:
AG003EDO
Molecular Formula:
C7H12
Molecular Weight:
96.1702
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$63
- +
100g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003EDO
Chemical Name:
1-Heptyne
CAS Number:
628-71-7
Molecular Formula:
C7H12
Molecular Weight:
96.1702
MDL Number:
MFCD00009529
IUPAC Name:
hept-1-yne
InChI:
InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
InChI Key:
YVXHZKKCZYLQOP-UHFFFAOYSA-N
SMILES:
CCCCCC#C
EC Number:
211-051-5
UNII:
Z3NF9SSH6K
NSC Number:
9710
Properties
Complexity:
63.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Syntheses of α-pyrones using gold-catalyzed coupling reactions. Organic letters 20110603
New substituted isocoumarins and Dihydroisocoumarins and their cytotoxic activities. Scientia pharmaceutica 20110101
Near-infrared spectroscopy as a useful tool for analysis in solution in common organic solvents. Applied spectroscopy 20090301
Quassinoid support studies: fused carbocycle synthesis from benzoic acid derivatives via 5-hexynyl and 6-heptynyl radical cyclizations. Organic letters 20060928
Adducts of thianthrene- and phenoxathiin cation radical tetrafluoroborates to 1-alkynes. Structures and formation of 1-(5-thianthreniumyl)- and 1-(10-phenoxathiiniumyl)alkynes on alumina leading to alpha-ketoylides and alpha-ketols. The Journal of organic chemistry 20051125
Phase relationships and thermodynamic interactions of isotactic poly(1-butene) and organic solvent systems. Chemistry (Weinheim an der Bergstrasse, Germany) 20050107
Studies on the total synthesis of streptazolin and its related natural products: first total synthesis of (+/-)-8alpha-hydroxystreptazolone. The Journal of organic chemistry 20040319
In situ functionalization of porous silicon during the electrochemical formation process in ethanoic hydrofluoric acid solution. Journal of the American Chemical Society 20030813
Stereoselective synthesis of (6Z,10E,12Z)-octadeca-6,10,12-trienoic acid, (8Z,12E,14Z)-eicosa-8,12,14-trienoic acid, and their [1-14C]-radiolabeled analogs. Chemistry and physics of lipids 20030701
Functional analysis of the molecular determinants of cyclooxygenase-2 acetylation by 2-acetoxyphenylhept-2-ynyl sulfide. Archives of biochemistry and biophysics 20030101
Ring scission of diastereomeric 4-butylspiropentylcarbinyl radicals as a chemical model for identifying enzyme-catalyzed FAD adducts resulting from spiropentylacetyl-CoA. Journal of the American Chemical Society 20020220
Properties