Home Other Building Blocks 2-Ethynyltoluene

2-Ethynyltoluene

CAS No.:
766-47-2
Catalog Number:
AG003HQ8
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$57
- +
5g
97%
In Stock USA
United States
$175
- +
10g
97%
In Stock USA
United States
$300
- +
25g
97%
In Stock USA
United States
$600
- +
100g
97%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG003HQ8
Chemical Name:
2-Ethynyltoluene
CAS Number:
766-47-2
MDL Number:
MFCD03427202
IUPAC Name:
1-ethynyl-2-methylbenzene
InChI:
InChI=1S/C9H8/c1-3-9-7-5-4-6-8(9)2/h1,4-7H,2H3
InChI Key:
MYBSUWNEMXUTAX-UHFFFAOYSA-N
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.163g/mol
Monoisotopic Mass:
116.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change. The Journal of chemical physics 20110227
Properties