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AB65418

21606-04-2 | 1-Methyl-3-nitrophthalate

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% in stock $6.00 $4.00 -   +
5g 98% in stock $7.00 $5.00 -   +
10g 98% in stock $9.00 $6.00 -   +
25g 98% in stock $12.00 $9.00 -   +

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Description
Catalog Number: AB65418
Chemical Name: 1-Methyl-3-nitrophthalate
CAS Number: 21606-04-2
Molecular Formula: C9H7NO6
Molecular Weight: 225.1550
MDL Number: MFCD00034781
SMILES: COC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]

 

Computed Properties
Complexity: 310  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 1.1  

 

 

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