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1781740-66-6 | 1-Pyrrolidinecarboxylic acid, 2-(1-cyanoethyl)-, 1,1-dimethylethyl ester
CAS No: 1781740-66-6 Catalog No: AG0025SV MDL No:MFCD28646847
Product Description
Catalog Number:
AG0025SV
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(1-cyanoethyl)-, 1,1-dimethylethyl ester
CAS Number:
1781740-66-6
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
MDL Number:
MFCD28646847
IUPAC Name:
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H20N2O2/c1-9(8-13)10-6-5-7-14(10)11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3
InChI Key:
RWMFSSOBMVTXJK-UHFFFAOYSA-N
SMILES:
N#CC(C1CCCN1C(=O)OC(C)(C)C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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