3-methoxy-4-nitropyridin-1-ium-1-olate

3-methoxy-4-nitropyridin-1-ium-1-olate

CAS: 19355-04-5

Formula: C6H6N2O4

SMILES: COC1=C[N+]([O-])=CC=C1[N+]([O-])=O

IUPAC: 3-methoxy-4-nitropyridin-1-ium-1-olate

InChI: InChI=1S/C6H6N2O4/c1-12-6-4-7(9)3-2-5(6)8(10)11/h2-4H,1H3

Composition: C (42.36%), H (3.56%), N (16.47%), O (37.62%)

Molar Mass: 170.124

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.032756681
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YTTSNODVMTUELN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40
Topological Polar Surface Area	79.31
Polarizability	14.48
Ring Count	1
Rotatable Bond Count	2

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