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Home  > Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

AB53639

26347-98-8 | Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

Packsize Purity Availability Price Discounted Price    Quantity
100mg 97% in stock $143.00 $100.00 -   +
250mg 97% in stock $266.00 $186.00 -   +
1g 97% in stock $702.00 $491.00 -   +

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Description
Catalog Number: AB53639
Chemical Name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
CAS Number: 26347-98-8
Molecular Formula: C22H36O6
Molecular Weight: 396.5176
MDL Number: MFCD32206581
SMILES: OCC(COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(CO)CO

 

Computed Properties
Complexity: 454  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 4  
Rotatable Bond Count: 11  
XLogP3: 3.1  

 

 

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