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2-ethyl-1-(pyridin-2-yl)hexan-1-one

2-ethyl-1-(pyridin-2-yl)hexan-1-one

CAS: 898779-70-9

Formula: C13H19NO

SMILES: CCCCC(CC)C(=O)C1=NC=CC=C1

IUPAC: 2-ethyl-1-(pyridin-2-yl)hexan-1-one

InChI: InChI=1/C13H19NO/c1-3-5-8-11(4-2)13(15)12-9-6-7-10-14-12/h6-7,9-11H,3-5,8H2,1-2H3

Composition: C (76.06%), H (9.33%), N (6.82%), O (7.79%)

Molar Mass: 205.301

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 205.146664236
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XTAXEQBNVASDRJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.54
Topological Polar Surface Area 29.96
Polarizability 24.23
Ring Count 1
Rotatable Bond Count 6

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