3,5-bis(ethoxycarbonyl)-2,6-diethylpyridin-1-ium-1-olate

3,5-bis(ethoxycarbonyl)-2,6-diethylpyridin-1-ium-1-olate

CAS: 1374457-01-8

Formula: C15H21NO5

SMILES: CCOC(=O)C1=CC(C(=O)OCC)=C(CC)[N+]([O-])=C1CC

IUPAC: 3,5-bis(ethoxycarbonyl)-2,6-diethylpyridin-1-ium-1-olate

InChI: InChI=1S/C15H21NO5/c1-5-12-10(14(17)20-7-3)9-11(15(18)21-8-4)13(6-2)16(12)19/h9H,5-8H2,1-4H3

Composition: C (61.00%), H (7.17%), N (4.74%), O (27.09%)

Molar Mass: 295.335

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	295.14197278
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BYJSUAJCLZASNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.7
Topological Polar Surface Area	79.54
Polarizability	29.7
Ring Count	1
Rotatable Bond Count	8

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1374457-01-8		$224.25-$1,782.50$224.25$517.50$1,782.50