Home Other Building Blocks Acetic acid, 2-isocyano-, 1,1-dimethylethyl ester

Acetic acid, 2-isocyano-, 1,1-dimethylethyl ester

CAS No.:
2769-72-4
Catalog Number:
AG002UGQ
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
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Product Description
Catalog Number:
AG002UGQ
Chemical Name:
Acetic acid, 2-isocyano-, 1,1-dimethylethyl ester
CAS Number:
2769-72-4
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD00042952
IUPAC Name:
tert-butyl 2-isocyanoacetate
InChI:
InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)5-8-4/h5H2,1-3H3
InChI Key:
IQSYKHVFMYGJER-UHFFFAOYSA-N
SMILES:
O=C(C[N+]#[C-])OC(C)(C)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties