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182247-45-6,MFCD01311761
Catalog No.:AA0023FN

182247-45-6 | (S)-(-)-2-Benzylsuccinic acid 1-methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
in stock  
$132.00   $93.00
- +
250mg
95%
in stock  
$347.00   $243.00
- +
1g
95%
in stock  
$572.00   $401.00
- +
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Technical Information
Catalog Number:
AA0023FN
Chemical Name:
(S)-(-)-2-Benzylsuccinic acid 1-methyl ester
CAS Number:
182247-45-6
Molecular Formula:
C12H13O4-
Molecular Weight:
221.2292
MDL Number:
MFCD01311761
SMILES:
COC(=O)[C@@H](Cc1ccccc1)CC(=O)[O-]
Properties
Properties
 
BP:
364.7°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
243  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
1.5  

Literature
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Additional Info:
SDS
Tags:182247-45-6 Molecular Formula|182247-45-6 MDL|182247-45-6 SMILES|182247-45-6 (S)-(-)-2-Benzylsuccinic acid 1-methyl ester