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1196155-81-3 | 1-Pyrrolidinecarboxylic acid, 4-cyano-2-ethyl-3-oxo-, 1,1-dimethylethyl ester
CAS No: 1196155-81-3 Catalog No: AG000PD2 MDL No:MFCD10566542
Product Description
Catalog Number:
AG000PD2
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-cyano-2-ethyl-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1196155-81-3
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
MDL Number:
MFCD10566542
IUPAC Name:
tert-butyl 4-cyano-2-ethyl-3-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H18N2O3/c1-5-9-10(15)8(6-13)7-14(9)11(16)17-12(2,3)4/h8-9H,5,7H2,1-4H3
InChI Key:
HEQLFIDMGZNTDD-UHFFFAOYSA-N
SMILES:
CCC1C(=O)C(CN1C(=O)OC(C)(C)C)C#N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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