3-[2-(pyrrolidin-1-yl)ethoxy]benzoic acid hydrochloride

3-[2-(pyrrolidin-1-yl)ethoxy]benzoic acid hydrochloride

CAS: 262425-14-9

Formula: C13H18ClNO3

SMILES: Cl.OC(=O)C1=CC(OCCN2CCCC2)=CC=C1

IUPAC: 3-[2-(pyrrolidin-1-yl)ethoxy]benzoic acid hydrochloride

InChI: InChI=1S/C13H17NO3.ClH/c15-13(16)11-4-3-5-12(10-11)17-9-8-14-6-1-2-7-14;/h3-5,10H,1-2,6-9H2,(H,15,16);1H

Composition: C (57.46%), H (6.68%), Cl (13.05%), N (5.15%), O (17.66%)

Molar Mass: 271.74

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.0975211
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DNEHUZGXIYVQLT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.34
Topological Polar Surface Area	49.77
Polarizability	25.18
Ring Count	2
Rotatable Bond Count	5

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