60788-02-5
(2,5-DIOXO-1-PHENYL-PYRROLIDIN-3-YLSULFANYL)-ACETIC ACID
Name(2,5-DIOXO-1-PHENYL-PYRROLIDIN-3-YLSULFANYL)-ACETIC ACID
pro_formulaC12 H11 N O4 S
1Identification
【Name】
(2,5-DIOXO-1-PHENYL-PYRROLIDIN-3-YLSULFANYL)-ACETIC ACID
【CAS】
【MDL】
MFCD00176638
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H11 N O4 S
【pro_molWeight】
265.288
【Inchi】
InChI=1S/C12H11NO4S/c14-10-6-9(18-7-11(15)16)12(17)13(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
【InChIKey】
InChIKey=YTNPLWOAHMUJEA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2C(=O)CC(C2=O)SCC(=O)O
【MOL File】
(2,5-DIOXO-1-PHENYL-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(2,5-DIOXO-1-PHENYL-PYRROLIDIN-3-YLSULFANYL)-ACETIC ACID.cml