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35121-93-8,MFCD00019838
Catalog No.:AA01BDFQ

35121-93-8 | 3-(4-methylphenyl)prop-2-enenitrile

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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Technical Information
Catalog Number:
AA01BDFQ
Chemical Name:
3-(4-methylphenyl)prop-2-enenitrile
CAS Number:
35121-93-8
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
MDL Number:
MFCD00019838
SMILES:
N#CC=Cc1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
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:
1  
XLogP3:
2.3  

Literature

Title: (E)-2-({2-[(E)-(Hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-o-tolyl-acrylonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

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889304-78-3

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Tags:35121-93-8 Molecular Formula|35121-93-8 MDL|35121-93-8 SMILES|35121-93-8 3-(4-methylphenyl)prop-2-enenitrile
Catalog No.: AA01BDFQ
35121-93-8,MFCD00019838
35121-93-8 | 3-(4-methylphenyl)prop-2-enenitrile
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: AA01BDFQ
Chemical Name: 3-(4-methylphenyl)prop-2-enenitrile
CAS Number: 35121-93-8
Molecular Formula: C10H9N
Molecular Weight: 143.1852
MDL Number: MFCD00019838
SMILES: N#CC=Cc1ccc(cc1)C
Properties
Complexity: 176  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
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: 1  
XLogP3: 2.3  
Literature fold

Title: (E)-2-({2-[(E)-(Hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-o-tolyl-acrylonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20120201

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