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methyl (3R,4S)-4-(pyridin-3-yl)pyrrolidine-3-carboxylate dihydrochloride

methyl (3R,4S)-4-(pyridin-3-yl)pyrrolidine-3-carboxylate dihydrochloride

CAS: 1217843-07-6

Formula: C11H16Cl2N2O2

SMILES: Cl.Cl.COC(=O)[C@H]1CNC[C@@H]1C1=CC=CN=C1

IUPAC: methyl (3R,4S)-4-(pyridin-3-yl)pyrrolidine-3-carboxylate dihydrochloride

InChI: InChI=1S/C11H14N2O2.2ClH/c1-15-11(14)10-7-13-6-9(10)8-3-2-4-12-5-8;;/h2-5,9-10,13H,6-7H2,1H3;2*1H/t9-,10+;;/m1../s1

Composition: C (47.33%), H (5.78%), Cl (25.40%), N (10.04%), O (11.46%)

Molar Mass: 279.16

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 278.0588832
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FYVKCEUCMXBFCE-NKRBYZSKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.5
Topological Polar Surface Area 51.22
Polarizability 22.04
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1217843-07-6 $107.19-$417.39$107.19$167.71$417.39
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