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884-33-3,MFCD00055798
Catalog No.:AA0034DD

884-33-3 | 2-Benzylsuccinic acid

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500mg
95%
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$30.00   $21.00
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1g
95%
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$43.00   $30.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0034DD
Chemical Name:
2-Benzylsuccinic acid
CAS Number:
884-33-3
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD00055798
SMILES:
OC(=O)C(Cc1ccccc1)CC(=O)O
NSC Number:
20708
Properties
Properties
 
BP:
331.4°C at 760 mmHg  
Form:
Solid  
MP:
160-161°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
231  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Yamaguchi,Toshiaki;Yanagi,Takashi;Hokari,Hiroshi;Mukaiyama,Yuko;Kamijo,Tetsuhide;Yamamoto,Iwao[ChemicalandPharmaceuticalBulletin,1998,vol.46,#2,p.337-340]

[2]Yamaguchi,Toshiaki;Yanagi,Takashi;Hokari,Hiroshi;Mukaiyama,Yuko;Kamijo,Tetsuhide;Yamamoto,Iwao[ChemicalandPharmaceuticalBulletin,1998,vol.46,#2,p.337-340]

[3]Hu,Jinghui;Du,Qiang;Zhao,Yao;Zhang,Fei;Chen,Rizhi;Zhou,JianrongSteve;Wu,Xiaojin[OrganicLetters,2022,vol.24,#24,p.4328-4332]

Literature

Title: Mark P. Wentland, et al. 96-Well Plate Colorimetric Assay for Ki Determination of (+/-)-2-Benzylsuccinic Acid, an Inhibitor of Carboxypeptidase A: A Laboratory Experiment in Drug Discovery. J Chem Educ. 2004 Mar 1, 81 (3):398.

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SDS
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