945895-47-6
8-(BENZYLOXYCARBONYLAMINO)-1,4-DIOXASPIRO[4.5]DECANE-8-CARBOXYLIC ACID
Name8-(BENZYLOXYCARBONYLAMINO)-1,4-DIOXASPIRO[4.5]DECANE-8-CARBOXYLIC ACID
1Identification
【Name】
8-(BENZYLOXYCARBONYLAMINO)-1,4-DIOXASPIRO[4.5]DECANE-8-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09756696
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H21 N O6
【pro_molWeight】
335.354
【Inchi】
InChI=1S/C17H21NO6/c19-14(20)16(6-8-17(9-7-16)23-10-11-24-17)18-15(21)22-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,21)(H,19,20)
【InChIKey】
InChIKey=DECPXHPVIDJDTN-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)COC(=O)NC2(CCC3(CC2)OCCO3)C(=O)O
【MOL File】
8-(BENZYLOXYCARBONYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
8-(BENZYLOXYCARBONYLAMINO)-1,4-DIOXASPIRO[4.5]DECANE-8-CARBOXYLIC ACID.cml