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Home Carboxes 63317-89-5
63317-89-5,MFCD20259705
Catalog No.:AA00IKBK

63317-89-5 | 1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$290.00   $203.00
- +
250mg
97%
in stock  
$528.00   $370.00
- +
1g
97%
in stock  
$557.00   $390.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00IKBK
Chemical Name:
1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester
CAS Number:
63317-89-5
Molecular Formula:
C12H13O5-
Molecular Weight:
237.2286
MDL Number:
MFCD20259705
SMILES:
OCCCCOC(=O)c1ccc(cc1)C(=O)[O-]
Properties
Computed Properties
 
Complexity:
250  
Covalently-Bonded Unit Count:
1  
Formal Charge:
-1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
2.9  

Literature
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Additional Info:
SDS
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Tags:63317-89-5 Molecular Formula|63317-89-5 MDL|63317-89-5 SMILES|63317-89-5 1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester