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651013-72-8,MFCD27923800
Catalog No.:AA00IBDI

651013-72-8 | 3-Benzyl-4-methoxy-4-oxobutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$300.00   $210.00
- +
1g
95%
in stock  
$673.00   $471.00
- +
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Technical Information
Catalog Number:
AA00IBDI
Chemical Name:
3-Benzyl-4-methoxy-4-oxobutanoic acid
CAS Number:
651013-72-8
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD27923800
SMILES:
COC(=O)C(Cc1ccccc1)CC(=O)O
Properties
Computed Properties
 
Complexity:
243  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.5  

Literature
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Additional Info:
SDS
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Tags:651013-72-8 Molecular Formula|651013-72-8 MDL|651013-72-8 SMILES|651013-72-8 3-Benzyl-4-methoxy-4-oxobutanoic acid