2,3,5-trimethyl-4-nitropyridin-1-ium-1-olate

2,3,5-trimethyl-4-nitropyridin-1-ium-1-olate

CAS: 86604-79-7

Formula: C8H10N2O3

SMILES: CC1=C[N+]([O-])=C(C)C(C)=C1[N+]([O-])=O

IUPAC: 2,3,5-trimethyl-4-nitropyridin-1-ium-1-olate

InChI: InChI=1S/C8H10N2O3/c1-5-4-9(11)7(3)6(2)8(5)10(12)13/h4H,1-3H3

Composition: C (52.74%), H (5.53%), N (15.38%), O (26.35%)

Molar Mass: 182.179

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.06914219
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YMBLTOGTYNFTRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.46
Topological Polar Surface Area	70.08
Polarizability	17.14
Ring Count	1
Rotatable Bond Count	1

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