2,3-bis(methoxycarbonyl)pyridin-1-ium-1-olate

2,3-bis(methoxycarbonyl)pyridin-1-ium-1-olate

CAS: 32383-02-1

Formula: C9H9NO5

SMILES: COC(=O)C1=CC=C[N+]([O-])=C1C(=O)OC

IUPAC: 2,3-bis(methoxycarbonyl)pyridin-1-ium-1-olate

InChI: InChI=1S/C9H9NO5/c1-14-8(11)6-4-3-5-10(13)7(6)9(12)15-2/h3-5H,1-2H3

Composition: C (51.19%), H (4.30%), N (6.63%), O (37.88%)

Molar Mass: 211.173

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.048072394
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XEVROCIBWHZFQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.14
Topological Polar Surface Area	79.54
Polarizability	18.92
Ring Count	1
Rotatable Bond Count	4

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