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1-benzylpyrrolidine-3-carboxylic acid hydrochloride

1-benzylpyrrolidine-3-carboxylic acid hydrochloride

CAS: 608142-09-2

Formula: C12H16ClNO2

SMILES: Cl.OC(=O)C1CCN(CC2=CC=CC=C2)C1

IUPAC: 1-benzylpyrrolidine-3-carboxylic acid hydrochloride

InChI: InChI=1/C12H15NO2.ClH/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,14,15);1H

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 1
Exact Mass 241.0869565
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LFWISXSUMOTUQQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.23
Topological Polar Surface Area 40.54
Polarizability 22.68
Ring Count 2
Rotatable Bond Count 3

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