Home Nitro Compounds 899822-99-2
899822-99-2,MFCD23142622
Catalog No.:AA00GXJS

899822-99-2 | 3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben

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20mg
2 weeks  
$104.00   $73.00
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Technical Information
Catalog Number:
AA00GXJS
Chemical Name:
3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben
CAS Number:
899822-99-2
Molecular Formula:
C19H31NO5
Molecular Weight:
353.4531
MDL Number:
MFCD23142622
SMILES:
CCCCCCCCc1ccc(cc1)C(CC([N+](=O)[O-])(CO)CO)O
Properties
Computed Properties
 
Complexity:
359  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
12  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.8  

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SDS
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Tags:899822-99-2 Molecular Formula|899822-99-2 MDL|899822-99-2 SMILES|899822-99-2 3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben