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1225218-97-2 | 1-Pyrrolidinecarboxylic acid, 3-(3-pyridinyl)-, phenylmethyl ester
CAS No: 1225218-97-2 Catalog No: AG0017DC MDL No:
Product Description
Catalog Number:
AG0017DC
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(3-pyridinyl)-, phenylmethyl ester
CAS Number:
1225218-97-2
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
benzyl 3-pyridin-3-ylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H18N2O2/c20-17(21-13-14-5-2-1-3-6-14)19-10-8-16(12-19)15-7-4-9-18-11-15/h1-7,9,11,16H,8,10,12-13H2
InChI Key:
URRADHFVXKQCTB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)c1cccnc1)OCc1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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