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171290-53-2,MFCD08669429
Catalog No.:AA00AAXZ

171290-53-2 | 3-Ethynyl-benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$33.00   $23.00
- +
1g
98%
in stock  
$54.00   $38.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AAXZ
Chemical Name:
3-Ethynyl-benzonitrile
CAS Number:
171290-53-2
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
MDL Number:
MFCD08669429
SMILES:
C#Cc1cccc(c1)C#N
Properties
Properties
 
BP:
223.374°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
199  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Literature
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SDS
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Tags:171290-53-2 Molecular Formula|171290-53-2 MDL|171290-53-2 SMILES|171290-53-2 3-Ethynyl-benzonitrile
Catalog No.: AA00AAXZ
171290-53-2,MFCD08669429
171290-53-2 | 3-Ethynyl-benzonitrile
Pack Size： 250mg
Purity： 98%
in stock
$33.00 $23.00
Pack Size： 1g
Purity： 98%
in stock
$54.00 $38.00
Quantity
- +
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Technical Information
Catalog Number: AA00AAXZ
Chemical Name: 3-Ethynyl-benzonitrile
CAS Number: 171290-53-2
Molecular Formula: C9H5N
Molecular Weight: 127.1427
MDL Number: MFCD08669429
SMILES: C#Cc1cccc(c1)C#N
Properties
BP: 223.374°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 199  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
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