1008005-93-3
2-(1,3-DIOXO-OCTAHYDRO-ISOINDOL-2-YL)-3-METHYLSULFANYL-PROPIONIC ACID
Name2-(1,3-DIOXO-OCTAHYDRO-ISOINDOL-2-YL)-3-METHYLSULFANYL-PROPIONIC ACID
1Identification
【Name】
2-(1,3-DIOXO-OCTAHYDRO-ISOINDOL-2-YL)-3-METHYLSULFANYL-PROPIONIC ACID
【CAS】
【MDL】
MFCD03653082
【English Synonyms】
【Formula】
C12 H17 N O4 S
【MolWeight】
271.335
【Inchi】
InChI=1S/C12H17NO4S/c1-18-6-9(12(16)17)13-10(14)7-4-2-3-5-8(7)11(13)15/h7-9H,2-6H2,1H3,(H,16,17)
【InChIKey】
InChIKey=VUSVLCRDPBARIH-UHFFFAOYSA-N
【SMILES】
CSCC(C(=O)O)N1C(=O)C2CCCCC2C1=O
【MOL File】
2-(1,3-DIOXO-OCTAHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(1,3-DIOXO-OCTAHYDRO-ISOINDOL-2-YL)-3-METHYLSULFANYL-PROPIONIC ACID.cml