Home Carboxys 1-Cyano-cyclopropanecarboxylic acid tert-butyl ester

1-Cyano-cyclopropanecarboxylic acid tert-butyl ester

CAS No.:
1414958-19-2
Catalog Number:
AG009K1G
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG009K1G
Chemical Name:
1-Cyano-cyclopropanecarboxylic acid tert-butyl ester
CAS Number:
1414958-19-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD22689189
IUPAC Name:
tert-butyl 1-cyanocyclopropane-1-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-5H2,1-3H3
InChI Key:
MKWBPXNKDXMTRP-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties