Home Other Building Blocks 1-Phenyl-1-hexyne

1-Phenyl-1-hexyne

CAS No.:
1129-65-3
Catalog Number:
AG003ELQ
Molecular Formula:
C12H14
Molecular Weight:
158.2396
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$125
- +
25g
98%
In Stock USA
United States
$400
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG003ELQ
Chemical Name:
1-Phenyl-1-hexyne
CAS Number:
1129-65-3
Molecular Formula:
C12H14
Molecular Weight:
158.2396
MDL Number:
MFCD00039969
IUPAC Name:
hex-1-ynylbenzene
InChI:
InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3
InChI Key:
VBRLZTLFLNZEPZ-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccccc1
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.244g/mol
Monoisotopic Mass:
158.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Antinociceptive effect of butyl (2-phenylethynyl) selenide on formalin test in mice: Evidences for the involvement of serotonergic and adenosinergic systems. European journal of pharmacology 20101010
Properties