766-47-2 | 2-Ethynyltoluene

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$8.00	$6.00
1g	95%	in stock	$14.00	$10.00
5g	95%	in stock	$53.00	$37.00
25g	95%	in stock	$172.00	$120.00

Description

• Catalog Number: AB62744
• Chemical Name: 2-Ethynyltoluene
• CAS Number: 766-47-2
• Molecular Formula: C9H8
• Molecular Weight: 116.1598
• MDL Number: MFCD03427202
• SMILES: CC1=CC=CC=C1C#C

Computed Properties

• Complexity: 126
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Rotatable Bond Count: 1
• XLogP3: 2.5

Literature

• 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