Home Other Building Blocks tert-butyl 2-cyano-2,2-dimethylacetate

tert-butyl 2-cyano-2,2-dimethylacetate

CAS No.:
75235-66-4
Catalog Number:
AG01A5L7
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG01A5L7
Chemical Name:
tert-butyl 2-cyano-2,2-dimethylacetate
CAS Number:
75235-66-4
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD24842949
IUPAC Name:
tert-butyl 2-cyano-2-methylpropanoate
InChI:
InChI=1S/C9H15NO2/c1-8(2,3)12-7(11)9(4,5)6-10/h1-5H3
InChI Key:
GESJVZLQSJGIES-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties