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129042-97-3,MFCD18907139
Catalog No.:AA01DT98

129042-97-3 | Benzenepentanoic acid, b-amino-, methyl ester

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01DT98
Chemical Name:
Benzenepentanoic acid, b-amino-, methyl ester
CAS Number:
129042-97-3
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD18907139
SMILES:
COC(=O)CC(CCc1ccccc1)N
Properties
Computed Properties
 
Complexity:
188  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Literature
Quotation Request
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SDS
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Tags:129042-97-3 Molecular Formula|129042-97-3 MDL|129042-97-3 SMILES|129042-97-3 Benzenepentanoic acid, b-amino-, methyl ester
Catalog No.: AA01DT98
129042-97-3,MFCD18907139
129042-97-3 | Benzenepentanoic acid, b-amino-, methyl ester
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: AA01DT98
Chemical Name: Benzenepentanoic acid, b-amino-, methyl ester
CAS Number: 129042-97-3
Molecular Formula: C12H17NO2
Molecular Weight: 207.2689
MDL Number: MFCD18907139
SMILES: COC(=O)CC(CCc1ccccc1)N
Properties
Complexity: 188  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
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