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1245806-93-2 | 1-Pyrrolidinecarboxylic acid, 4-cyano-2,2-diethyl-3-oxo-, 1,1-dimethylethyl ester
CAS No: 1245806-93-2 Catalog No: AG000MED MDL No:MFCD12756154
Product Description
Catalog Number:
AG000MED
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-cyano-2,2-diethyl-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1245806-93-2
Molecular Formula:
C14H22N2O3
Molecular Weight:
266.3361
MDL Number:
MFCD12756154
IUPAC Name:
tert-butyl 4-cyano-2,2-diethyl-3-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H22N2O3/c1-6-14(7-2)11(17)10(8-15)9-16(14)12(18)19-13(3,4)5/h10H,6-7,9H2,1-5H3
InChI Key:
RPFCPMKSGTUNLP-UHFFFAOYSA-N
SMILES:
CCC1(CC)C(=O)C(CN1C(=O)OC(C)(C)C)C#N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.341g/mol
Monoisotopic Mass:
266.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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