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496848-58-9,MFCD11044851
Catalog No.:AA00DO7I

496848-58-9 | 4-Acetyl-3-methylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
≥ 99% (GC)
in stock  
$383.00   $268.00
- +
5g
≥ 99% (GC)
in stock  
$1,630.00   $1,141.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DO7I
Chemical Name:
4-Acetyl-3-methylbenzonitrile
CAS Number:
496848-58-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11044851
SMILES:
N#Cc1ccc(c(c1)C)C(=O)C
Properties
Computed Properties
 
Complexity:
225  
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:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

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Tags:496848-58-9 Molecular Formula|496848-58-9 MDL|496848-58-9 SMILES|496848-58-9 4-Acetyl-3-methylbenzonitrile
Catalog No.: AA00DO7I
496848-58-9,MFCD11044851
496848-58-9 | 4-Acetyl-3-methylbenzonitrile
Pack Size： 1g
Purity： ≥ 99% (GC)
in stock
$383.00 $268.00
Pack Size： 5g
Purity： ≥ 99% (GC)
in stock
$1,630.00 $1,141.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DO7I
Chemical Name: 4-Acetyl-3-methylbenzonitrile
CAS Number: 496848-58-9
Molecular Formula: C10H9NO
Molecular Weight: 159.1846
MDL Number: MFCD11044851
SMILES: N#Cc1ccc(c(c1)C)C(=O)C
Properties
Complexity: 225  
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: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
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