2,3-dimethyl-4-nitropyridin-1-ium-1-olate

2,3-dimethyl-4-nitropyridin-1-ium-1-olate

CAS: 37699-43-7

Formula: C7H8N2O3

SMILES: CC1=C(C=C[N+]([O-])=C1C)[N+]([O-])=O

IUPAC: 2,3-dimethyl-4-nitropyridin-1-ium-1-olate

InChI: InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3

Composition: C (50.00%), H (4.80%), N (16.66%), O (28.54%)

Molar Mass: 168.152

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.053492126
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CFMTVTYBZMKULI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.42
Topological Polar Surface Area	70.08
Polarizability	15.39
Ring Count	1
Rotatable Bond Count	1

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