2,4-dimethyl pyridine-2,4-dicarboxylate

2,4-dimethyl pyridine-2,4-dicarboxylate

CAS: 25658-36-0

Formula: C9H9NO4

SMILES: COC(=O)C1=CC(=NC=C1)C(=O)OC

IUPAC: 2,4-dimethyl pyridine-2,4-dicarboxylate

InChI: InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-10-7(5-6)9(12)14-2/h3-5H,1-2H3

Composition: C (55.39%), H (4.65%), N (7.18%), O (32.79%)

Molar Mass: 195.174

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.053157774
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	TVKOFNSTLWFQHY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.58
Topological Polar Surface Area	65.49
Polarizability	18.37
Ring Count	1
Rotatable Bond Count	4

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