Home Nitro Compounds 124525-55-9
124525-55-9,MFCD00134948
Catalog No.:AA000M2U

124525-55-9 | Alpha-ethyl-3-nitrocinnamic acid

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1g
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Technical Information
Catalog Number:
AA000M2U
Chemical Name:
Alpha-ethyl-3-nitrocinnamic acid
CAS Number:
124525-55-9
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD00134948
SMILES:
CC/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)O
NSC Number:
163918
Properties
Properties
 
BP:
381.3°C at 760 mmHg  
Form:
Solid  
MP:
138-142℃  

Computed Properties
 
Complexity:
306  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.5  

Literature
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SDS
Tags:124525-55-9 Molecular Formula|124525-55-9 MDL|124525-55-9 SMILES|124525-55-9 Alpha-ethyl-3-nitrocinnamic acid