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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
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
Catalog No.: AA019J88
685543-78-6,MFCD03193259
685543-78-6 | 3-[benzyl(methyl)carbamoyl]prop-2-enoic acid
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
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
Complexity: 280  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 1  
XLogP3: 1  
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