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2-[2-oxo-2-(piperidin-1-yl)ethoxy]benzaldehyde

2-[2-oxo-2-(piperidin-1-yl)ethoxy]benzaldehyde

CAS: 125418-89-5

Formula: C14H17NO3

SMILES: O=CC1=C(OCC(=O)N2CCCCC2)C=CC=C1

IUPAC: 2-[2-oxo-2-(piperidin-1-yl)ethoxy]benzaldehyde

InChI: InChI=1S/C14H17NO3/c16-10-12-6-2-3-7-13(12)18-11-14(17)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9,11H2

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.120843411
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KHYZSSDWPPTXEK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.95
Topological Polar Surface Area 46.61
Polarizability 26.28
Ring Count 2
Rotatable Bond Count 4

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