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Home  > 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid

AY12493

57420-27-6 | 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid

Packsize Purity Availability Price Discounted Price    Quantity
100mg 95% in stock $419.00 $293.00 -   +
250mg 95% in stock $802.00 $561.00 -   +

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Description
Catalog Number: AY12493
Chemical Name: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
CAS Number: 57420-27-6
Molecular Formula: C12H12O6
Molecular Weight: 252.2201
MDL Number: MFCD19328401
SMILES: OC(=O)CC(C(=O)O)Cc1ccc2c(c1)OCO2
NSC Number: 140905

 

Computed Properties
Complexity: 329  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
XLogP3: 1.2  

 

 

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