Cyclohexanol, 1-(alpha-(2-(dimethylamino)ethoxy)-alpha-methoxybenzyl)-, oxalate

2-[(1-hydroxycyclohexyl)-methoxy-phenylmethoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate

CAS: 99998-17-1

Molecular Formula	`C20H31NO7`
Molecular Weight	397.5 g/mol
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	397.21005
Heavy Atoms	28
Complexity	400.0

Chemical Identifiers

CAS Number	99998-17-1
SMILES	`C[NH+](C)CCOC(C1=CC=CC=C1)(C2(CCCCC2)O)OC.C(=O)(C(=O)[O-])O`
InChIKey	`WBKGUBGBFAGDQC-UHFFFAOYSA-N`

📖 Product Overview

Cyclohexanol, 1-(alpha-(2-(dimethylamino)ethoxy)-alpha-methoxybenzyl)-, oxalate (CAS: 99998-17-1) is a chemical compound with molecular formula C20H31NO7 and molecular weight 397.5 g/mol. Its IUPAC systematic name is 2-[(1-hydroxycyclohexyl)-methoxy-phenylmethoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 397.21005 Heavy Atoms 28 Complexity 400.0 InChI Key: WBKGUBGBFAGDQC-UHFFFAOYSA-N. SMILES: C[NH+](C)CCOC(C1=CC=CC=C1)(C2(CCCCC2)O)OC.C(=O)(C(=O)[O-])O.

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