50332-08-6
6-METHYL-5-(2-THENOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
Name6-METHYL-5-(2-THENOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
1Identification
【Name】
6-METHYL-5-(2-THENOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
【CAS】
【MDL】
MFCD01729999
【English Synonyms】
【Formula】
C17 H13 N O5 S
【MolWeight】
343.358
【Inchi】
InChI=1S/C17H13NO5S/c1-9-10(6-16(19)20)11-5-13-14(23-8-22-13)7-12(11)18(9)17(21)15-3-2-4-24-15/h2-5,7H,6,8H2,1H3,(H,19,20)
【InChIKey】
InChIKey=HHWDIOVTZBAVKQ-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc3c(cc2n1C(=O)c4cccs4)OCO3)CC(=O)O
【MOL File】
6-METHYL-5-(2-THENOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-5-(2-THENOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID.cml