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Home Nitro Compounds 205680-84-8
205680-84-8,MFCD00216507
Catalog No.:AA002A6Z

205680-84-8 | 3-(1,3-Dioxopropan-2-yl)-4-nitrobenzoic acid hydrate

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1g
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$100.00   $70.00
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Technical Information
Catalog Number:
AA002A6Z
Chemical Name:
3-(1,3-Dioxopropan-2-yl)-4-nitrobenzoic acid hydrate
CAS Number:
205680-84-8
Molecular Formula:
C10H9NO7
Molecular Weight:
255.1810
MDL Number:
MFCD00216507
SMILES:
O=CC(c1cc(ccc1[N+](=O)[O-])C(=O)O)C=O.O
Properties
Computed Properties
 
Complexity:
328  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  

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Tags:205680-84-8 Molecular Formula|205680-84-8 MDL|205680-84-8 SMILES|205680-84-8 3-(1,3-Dioxopropan-2-yl)-4-nitrobenzoic acid hydrate