Compound C23H28ClNO6

2-(2-morpholin-4-ium-4-ylethoxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride

CAS: 100447-56-1

Molecular Formula	`C23H28ClNO6`
Molecular Weight	449.9 g/mol
Topological Polar Surface Area	67.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	449.16052
Heavy Atoms	31
Complexity	520.0

Chemical Identifiers

CAS Number	100447-56-1
SMILES	`C1COCC[NH+]1CCOCCOC(=O)C2C(OC3=CC=CC=C3O2)C4=CC=CC=C4.[Cl-]`
InChIKey	`OUCUJUQTYSJDGQ-UMIAIAFLSA-N`

📖 Product Overview

Compound C23H28ClNO6 (CAS: 100447-56-1) is a chemical compound with molecular formula C23H28ClNO6 and molecular weight 449.9 g/mol. Its IUPAC systematic name is 2-(2-morpholin-4-ium-4-ylethoxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride. Topological Polar Surface Area 67.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 449.16052 Heavy Atoms 31 Complexity 520.0 InChI Key: OUCUJUQTYSJDGQ-UMIAIAFLSA-N. SMILES: C1COCC[NH+]1CCOCCOC(=O)C2C(OC3=CC=CC=C3O2)C4=CC=CC=C4.[Cl-].

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