50332-06-4
6-METHYL-5-(3,4,5-TRIMETHOXYBENZOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
Name6-METHYL-5-(3,4,5-TRIMETHOXYBENZOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
1Identification
【Name】
6-METHYL-5-(3,4,5-TRIMETHOXYBENZOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
【CAS】
【MDL】
MFCD01730001
【English Synonyms】
【Formula】
C22 H21 N O8
【MolWeight】
427.407
【Inchi】
InChI=1S/C22H21NO8/c1-11-13(8-20(24)25)14-7-16-17(31-10-30-16)9-15(14)23(11)22(26)12-5-18(27-2)21(29-4)19(6-12)28-3/h5-7,9H,8,10H2,1-4H3,(H,24,25)
【InChIKey】
InChIKey=WLTPXYFSXYGATR-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc3c(cc2n1C(=O)c4cc(c(c(c4)OC)OC)OC)OCO3)CC(=O)O
【MOL File】
6-METHYL-5-(3,4,5-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-5-(3,4,5-TRIMETHOXYBENZOYL)-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID.cml