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5-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid hydrochloride

5-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid hydrochloride

Formula: C12H16ClNO3

SMILES: Cl.OC(=O)C1CCC(CC2=CC=C(O)C=C2)N1

IUPAC: 5-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid hydrochloride

InChI: InChI=1/C12H15NO3.ClH/c14-10-4-1-8(2-5-10)7-9-3-6-11(13-9)12(15)16;/h1-2,4-5,9,11,13-14H,3,6-7H2,(H,15,16);1H

Composition: C (55.93%), H (6.26%), Cl (13.76%), N (5.44%), O (18.62%)

Molar Mass: 257.71

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 257.0818711
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey DVOODBANSMELEK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.08
Topological Polar Surface Area 69.56
Polarizability 23.22
Ring Count 2
Rotatable Bond Count 3

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98% <10 Days C12H16ClNO3 Quote Only
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