niceritrol

[3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate

CAS: 5868-05-3

Molecular Formula	`C29H24N4O8`
Molecular Weight	556.5 g/mol
LogP	2.3
Topological Polar Surface Area	157.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	12
Rotatable Bonds	16
Exact Mass	556.1594
Heavy Atoms	41
Complexity	745.0

Chemical Identifiers

CAS Number	5868-05-3
SMILES	`C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4`
InChIKey	`KUEUWHJGRZKESU-UHFFFAOYSA-N`

📖 Product Overview

niceritrol (CAS: 5868-05-3) is a chemical compound with molecular formula C29H24N4O8 and molecular weight 556.5 g/mol. Its IUPAC systematic name is [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate. LogP 2.3 Topological Polar Surface Area 157.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 12 Rotatable Bonds 16 Exact Mass 556.1594 Heavy Atoms 41 Complexity 745.0 InChI Key: KUEUWHJGRZKESU-UHFFFAOYSA-N. SMILES: C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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