3,4-diethyl pyridine-3,4-dicarboxylate

3,4-diethyl pyridine-3,4-dicarboxylate

CAS: 1678-52-0

Formula: C11H13NO4

SMILES: CCOC(=O)C1=CC=NC=C1C(=O)OCC

IUPAC: 3,4-diethyl pyridine-3,4-dicarboxylate

InChI: InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-7-9(8)11(14)16-4-2/h5-7H,3-4H2,1-2H3

Composition: C (59.19%), H (5.87%), N (6.27%), O (28.67%)

Molar Mass: 223.228

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.084457903
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SIOSRDUNOOIMCE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.45
Topological Polar Surface Area	65.49
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	6

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