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4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid

4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid

CAS: 889939-81-5

Formula: C13H18N2O3

SMILES: OCCN1CCN(CC1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid

InChI: InChI=1S/C13H18N2O3/c16-10-9-14-5-7-15(8-6-14)12-3-1-11(2-4-12)13(17)18/h1-4,16H,5-10H2,(H,17,18)

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.131742448
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BEQXROVHHVUMIU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.09
Topological Polar Surface Area 64.01
Polarizability 26.27
Ring Count 2
Rotatable Bond Count 4

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