AC1MII5I structure

AC1MII5I

5-O-(2-prop-2-enoxyethyl) 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester|5-O-(2-prop-2-enoxyethyl) 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate|3,5-Pyridinedicarboxylicacid,1,4-dihydro-2- -6-methyl-4- -,5-(2- 3- ester|3,5-Pyridinedicarboxylic acid,1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-,5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester|5-{2-[(Prop-2-en-1-yl)oxy]ethyl} 3-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

CAS: 85387-16-2
Molecular Formula C25H32N2O9
Molecular Weight 504.2108 g/mol
LogP 2.5176
Topological Polar Surface Area 146.46 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
Rotatable Bonds 15
Exact Mass 504.2108
Monoisotopic Mass 504.2108
Heavy Atoms 36
Complexity 1016.5372

Chemical Identifiers

CAS Number 85387-16-2
SMILES CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCC=C)C)CO

Product Overview

AC1MII5I (CAS 85387-16-2), with molecular formula C25H32N2O9 and molecular weight 504.2108 g/mol. IUPAC: 5-O-(2-prop-2-enoxyethyl) 3-O-(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

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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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