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112163-39-0,MFCD09840284
Catalog No.:AA008VO0

112163-39-0 | 7-CYANOMETHOTREXATE DIMETHYL ESTER

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Purity
Availability
Price(USD)
Quantity
  
1mg
2 weeks  
$2,164.00   $1,515.00
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Technical Information
Catalog Number:
AA008VO0
Chemical Name:
7-CYANOMETHOTREXATE DIMETHYL ESTER
CAS Number:
112163-39-0
Molecular Formula:
C23H25N9O5
Molecular Weight:
507.5019
MDL Number:
MFCD09840284
SMILES:
CN(CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)C#N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC
Properties
Computed Properties
 
Complexity:
859  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.3  

Literature
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SDS
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Tags:112163-39-0 Molecular Formula|112163-39-0 MDL|112163-39-0 SMILES|112163-39-0 7-CYANOMETHOTREXATE DIMETHYL ESTER