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485-31-4,MFCD00055425
Catalog No.:AA006WOT

485-31-4 | 2-Butenoic acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester

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250mg
analytical standard
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$515.00   $360.00
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Technical Information
Catalog Number:
AA006WOT
Chemical Name:
2-Butenoic acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester
CAS Number:
485-31-4
Molecular Formula:
C15H17N2O6-
Molecular Weight:
321.3053
MDL Number:
MFCD00055425
SMILES:
CCC(c1cc(cc(c1C(=C(C)C)C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C
UN Number:
2779
Properties
Properties
 
Form:
Solid  
MP:
68-69℃  

Computed Properties
 
Complexity:
489  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.6  

Literature
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SDS
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Tags:485-31-4 Molecular Formula|485-31-4 MDL|485-31-4 SMILES|485-31-4 2-Butenoic acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester