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3-[2-(prop-2-en-1-yl)phenoxy]pyrrolidine hydrochloride

3-[2-(prop-2-en-1-yl)phenoxy]pyrrolidine hydrochloride

CAS: 1185298-58-1

Formula: C13H18ClNO

SMILES: Cl.C=CCC1=C(OC2CCNC2)C=CC=C1

IUPAC: 3-[2-(prop-2-en-1-yl)phenoxy]pyrrolidine hydrochloride

InChI: InChI=1/C13H17NO.ClH/c1-2-5-11-6-3-4-7-13(11)15-12-8-9-14-10-12;/h2-4,6-7,12,14H,1,5,8-10H2;1H

Composition: C (65.13%), H (7.57%), Cl (14.79%), N (5.84%), O (6.67%)

Molar Mass: 239.74

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 239.1076919
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ADGRHGDFGOZQSH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.1
Topological Polar Surface Area 21.26
Polarizability 24.48
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 1185298-58-1 $129.41-$200.00$129.41$200.00
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