110180-50-2
CHOLINE IODIDE 1-HYDROXY-ALPHA-PHENYLCYCLOPENTANEACETATE
NameCHOLINE IODIDE 1-HYDROXY-ALPHA-PHENYLCYCLOPENTANEACETATE
pro_formulaC18 H28 N O3 . I
1Identification
【Name】
CHOLINE IODIDE 1-HYDROXY-ALPHA-PHENYLCYCLOPENTANEACETATE
【CAS】
【MDL】
MFCD01736287
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H28 N O3 . I
【pro_molWeight】
433.323
【Inchi】
InChI=1S/C18H28NO3.HI/c1-19(2,3)13-14-22-17(20)16(15-9-5-4-6-10-15)18(21)11-7-8-12-18;/h4-6,9-10,16,21H,7-8,11-14H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=XTYPKXUALIKLCI-UHFFFAOYSA-M
【SMILES】
C[N+](C)(C)CCOC(=O)C(c1ccccc1)C2(CCCC2)O.[I-]
【MOL File】
CHOLINE IODIDE 1-HYD….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
CHOLINE IODIDE 1-HYDROXY-ALPHA-PHENYLCYCLOPENTANEACETATE.cml