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996-95-2,MFCD00027231
Catalog No.:AA01A254

996-95-2 | ethyl 2-cyanohex-2-enoate

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
Technical Information
Catalog Number:
AA01A254
Chemical Name:
ethyl 2-cyanohex-2-enoate
CAS Number:
996-95-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00027231
SMILES:
CCCC=C(C(=O)OCC)C#N
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  

Literature
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SDS
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Tags:996-95-2 Molecular Formula|996-95-2 MDL|996-95-2 SMILES|996-95-2 ethyl 2-cyanohex-2-enoate
Catalog No.: AA01A254
996-95-2,MFCD00027231
996-95-2 | ethyl 2-cyanohex-2-enoate
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA01A254
Chemical Name: ethyl 2-cyanohex-2-enoate
CAS Number: 996-95-2
Molecular Formula: C9H13NO2
Molecular Weight: 167.2050
MDL Number: MFCD00027231
SMILES: CCCC=C(C(=O)OCC)C#N
Properties
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 1  
XLogP3: 2.1  
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