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85692-25-7,MFCD06201537
Catalog No.:AA004PO7

85692-25-7 | 3-(3,5-Dimethylphenyl)-3-oxopropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$527.00   $369.00
- +
2g
97%
1 week  
$774.00   $542.00
- +
5g
97%
1 week  
$1,506.00   $1,054.00
- +
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Technical Information
Catalog Number:
AA004PO7
Chemical Name:
3-(3,5-Dimethylphenyl)-3-oxopropanenitrile
CAS Number:
85692-25-7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD06201537
SMILES:
N#CCC(=O)c1cc(C)cc(c1)C
Properties
Computed Properties
 
Complexity:
228  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.2  

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Additional Info:
SDS
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Tags:85692-25-7 Molecular Formula|85692-25-7 MDL|85692-25-7 SMILES|85692-25-7 3-(3,5-Dimethylphenyl)-3-oxopropanenitrile