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3-methoxypiperidin-4-one hydrochloride

3-methoxypiperidin-4-one hydrochloride

CAS: 1220040-18-5

Formula: C6H12ClNO2

SMILES: Cl.COC1CNCCC1=O

IUPAC: 3-methoxypiperidin-4-one hydrochloride

InChI: InChI=1/C6H11NO2.ClH/c1-9-6-4-7-3-2-5(6)8;/h6-7H,2-4H2,1H3;1H

Composition: C (43.51%), H (7.30%), Cl (21.40%), N (8.46%), O (19.32%)

Molar Mass: 165.62

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 165.0556563
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PKGPGHKLZIQCSO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.26
Topological Polar Surface Area 38.33
Polarizability 13.36
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1220040-18-5 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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