Benzene-1,3,5-triyl trinicotinate

[3,5-bis(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate

CAS: 3468-40-4

Molecular Formula	`C24H15N3O6`
Molecular Weight	441.4 g/mol
LogP	2.9
Topological Polar Surface Area	118.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	441.0961
Heavy Atoms	33
Complexity	587.0

Chemical Identifiers

CAS Number	3468-40-4
SMILES	`C1=CC(=CN=C1)C(=O)OC2=CC(=CC(=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4`
InChIKey	`PTSXETMTZDEFBO-UHFFFAOYSA-N`

📖 Product Overview

Benzene-1,3,5-triyl trinicotinate (CAS: 3468-40-4) is a chemical compound with molecular formula C24H15N3O6 and molecular weight 441.4 g/mol. Its IUPAC systematic name is [3,5-bis(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate. LogP 2.9 Topological Polar Surface Area 118.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 9 Rotatable Bonds 9 Exact Mass 441.0961 Heavy Atoms 33 Complexity 587.0 InChI Key: PTSXETMTZDEFBO-UHFFFAOYSA-N. SMILES: C1=CC(=CN=C1)C(=O)OC2=CC(=CC(=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4.

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