Home Other Building Blocks tert-butyl 2-cyano-2-ethylbutanoate

tert-butyl 2-cyano-2-ethylbutanoate

CAS No.:
150596-31-9
Catalog Number:
AG01C2IC
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
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Product Description
Catalog Number:
AG01C2IC
Chemical Name:
tert-butyl 2-cyano-2-ethylbutanoate
CAS Number:
150596-31-9
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD29762722
IUPAC Name:
tert-butyl 2-cyano-2-ethylbutanoate
InChI:
InChI=1S/C11H19NO2/c1-6-11(7-2,8-12)9(13)14-10(3,4)5/h6-7H2,1-5H3
InChI Key:
QNSHPSZSSMNGJH-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC(C)(C)C)(C#N)CC
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties