2-(methoxycarbonyl)-5-methylpyridin-1-ium-1-olate

2-(methoxycarbonyl)-5-methylpyridin-1-ium-1-olate

CAS: 401792-77-6

Formula: C8H9NO3

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

IUPAC: 2-(methoxycarbonyl)-5-methylpyridin-1-ium-1-olate

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

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	SPFVTFLCOJWOKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.16
Topological Polar Surface Area	53.24
Polarizability	16.14
Ring Count	1
Rotatable Bond Count	2

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	401792-77-6		$339.25-$1,207.50$339.25$1,207.50