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tert-butyl cyanoformate

CAS No.:
57022-34-1
Catalog Number:
AG01AG1N
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG01AG1N
Chemical Name:
tert-butyl cyanoformate
CAS Number:
57022-34-1
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD28360993
IUPAC Name:
tert-butyl cyanoformate
InChI:
InChI=1S/C6H9NO2/c1-6(2,3)9-5(8)4-7/h1-3H3
InChI Key:
QCVNMVPFJFEZRZ-UHFFFAOYSA-N
SMILES:
N#CC(=O)OC(C)(C)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties