3-cyanopyridin-1-ium-1-olate

3-cyanopyridin-1-ium-1-olate

CAS: 14906-64-0

Formula: C6H4N2O

SMILES: [O-][N+]1=CC(=CC=C1)C#N

IUPAC: 3-cyanopyridin-1-ium-1-olate

InChI: InChI=1S/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H

Composition: C (60.00%), H (3.36%), N (23.32%), O (13.32%)

Molar Mass: 120.111

Atom Count: 13

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	120.032362757
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WOOVSQCALYYUDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.93
Topological Polar Surface Area	50.73
Polarizability	11.74
Ring Count	1
Rotatable Bond Count	0

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