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685543-78-6,MFCD03193259
Catalog No.:AA019J88

685543-78-6 | 3-[benzyl(methyl)carbamoyl]prop-2-enoic acid

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Technical Information
Catalog Number:
AA019J88
Chemical Name:
3-[benzyl(methyl)carbamoyl]prop-2-enoic acid
CAS Number:
685543-78-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD03193259
SMILES:
CN(C(=O)C=CC(=O)O)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
280  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1  

Literature
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SDS
Tags:685543-78-6 Molecular Formula|685543-78-6 MDL|685543-78-6 SMILES|685543-78-6 3-[benzyl(methyl)carbamoyl]prop-2-enoic acid