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methyl (2R,3R)-2-phenylpyrrolidine-3-carboxylate hydrochloride

methyl (2R,3R)-2-phenylpyrrolidine-3-carboxylate hydrochloride

CAS: 82959-88-4

Formula: C12H16ClNO2

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

IUPAC: methyl (2R,3R)-2-phenylpyrrolidine-3-carboxylate hydrochloride

InChI: InChI=1S/C12H15NO2.ClH/c1-15-12(14)10-7-8-13-11(10)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m1./s1

Composition: C (59.63%), H (6.67%), Cl (14.67%), N (5.79%), O (13.24%)

Molar Mass: 241.72

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 241.0869565
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RAKLJEPTGBTACR-DHXVBOOMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.37
Topological Polar Surface Area 38.33
Polarizability 22.93
Ring Count 2
Rotatable Bond Count 3

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