4-(ethoxycarbonyl)pyridin-1-ium-1-olate

4-(ethoxycarbonyl)pyridin-1-ium-1-olate

CAS: 14906-37-7

Formula: C8H9NO3

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

IUPAC: 4-(ethoxycarbonyl)pyridin-1-ium-1-olate

InChI: InChI=1S/C8H9NO3/c1-2-12-8(10)7-3-5-9(11)6-4-7/h3-6H,2H2,1H3

Composition: C (57.48%), H (5.43%), N (8.38%), O (28.71%)

Molar Mass: 167.164

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.058243154
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DPWRGNWJVVSVIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.99
Topological Polar Surface Area	53.24
Polarizability	16.21
Ring Count	1
Rotatable Bond Count	3

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