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1024590-32-6 | 1-Pyrrolidinecarboxylic acid, 3-(4-pyridinyl)-, 1,1-diMethylethyl ester
CAS No: 1024590-32-6 Catalog No: AG0007JF MDL No:MFCD25542384
Product Description
Catalog Number:
AG0007JF
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(4-pyridinyl)-, 1,1-diMethylethyl ester
CAS Number:
1024590-32-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD25542384
IUPAC Name:
tert-butyl 3-pyridin-4-ylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-6-12(10-16)11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3
InChI Key:
LOTBGBMAQSVUKN-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)c1ccncc1)OC(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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