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766-47-2,MFCD03427202
Catalog No.:AA003HNG
766-47-2 | 2-Methylphenylacetylene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$45.00
- +
5g
95%
in stock  
$156.00
- +
10g
95%
in stock  
$267.00
- +
25g
95%
in stock  
$534.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HNG
Chemical Name:
2-Methylphenylacetylene
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
Computed 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: Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change.

Journal: The Journal of chemical physics 20110227

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