3-oxo-1-(pyridin-3-yl)cyclobutane-1-carbonitrile

3-oxo-1-(pyridin-3-yl)cyclobutane-1-carbonitrile

CAS: 1521498-81-6

Formula: C10H8N2O

SMILES: O=C1CC(C1)(C#N)C1=CC=CN=C1

IUPAC: 3-oxo-1-(pyridin-3-yl)cyclobutane-1-carbonitrile

InChI: InChI=1S/C10H8N2O/c11-7-10(4-9(13)5-10)8-2-1-3-12-6-8/h1-3,6H,4-5H2

Composition: C (69.76%), H (4.68%), N (16.27%), O (9.29%)

Molar Mass: 172.187

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.063662886
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LCQYKMRKHAINMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.7
Topological Polar Surface Area	53.75
Polarizability	17.82
Ring Count	2
Rotatable Bond Count	1

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98%	<2 Days	1521498-81-6		$342.70-$5,747.70$342.70$457.70$687.70$977.50$1,587.00$5,747.70