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95759-33-4,MFCD07772898
Catalog No.:AA01A33Z

95759-33-4 | 4-(3-oxoprop-1-en-1-yl)benzonitrile

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Technical Information
Catalog Number:
AA01A33Z
Chemical Name:
4-(3-oxoprop-1-en-1-yl)benzonitrile
CAS Number:
95759-33-4
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD07772898
SMILES:
O=CC=Cc1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  

Literature
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Additional Info:
SDS
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Tags:95759-33-4 Molecular Formula|95759-33-4 MDL|95759-33-4 SMILES|95759-33-4 4-(3-oxoprop-1-en-1-yl)benzonitrile