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13794-39-3,MFCD00078478
Catalog No.:AA0017MJ

13794-39-3 | Ethyl 2-isocyanato-3-methylbutanoate

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Technical Information
Catalog Number:
AA0017MJ
Chemical Name:
Ethyl 2-isocyanato-3-methylbutanoate
CAS Number:
13794-39-3
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD00078478
SMILES:
CCOC(=O)C(C(C)C)N=C=O
Properties
Computed Properties
 
Complexity:
195  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.8  

Literature
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SDS
Tags:13794-39-3 Molecular Formula|13794-39-3 MDL|13794-39-3 SMILES|13794-39-3 Ethyl 2-isocyanato-3-methylbutanoate