Home Nitro Compounds 478048-75-8
478048-75-8,MFCD01315092
Catalog No.:AA00IPND

478048-75-8 | 3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-one

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Technical Information
Catalog Number:
AA00IPND
Chemical Name:
3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-one
CAS Number:
478048-75-8
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD01315092
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])OCC(=O)C(C)(C)C
Properties
Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
4  
XLogP3:
3.2  

Literature
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SDS
Tags:478048-75-8 Molecular Formula|478048-75-8 MDL|478048-75-8 SMILES|478048-75-8 3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-one