557772-39-1
5-[2-(DIMETHYLAMINO)ETHOXY]-1H-INDOLE-2-CARBOXYLIC ACID
Name5-[2-(DIMETHYLAMINO)ETHOXY]-1H-INDOLE-2-CARBOXYLIC ACID
1Identification
【Name】
5-[2-(DIMETHYLAMINO)ETHOXY]-1H-INDOLE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD22581635
【English Synonyms】
【Formula】
C13 H16 N2 O3
【MolWeight】
248.28
【Inchi】
InChI=1S/C13H16N2O3/c1-15(2)5-6-18-10-3-4-11-9(7-10)8-12(14-11)13(16)17/h3-4,7-8,14H,5-6H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=GSIOXRJRNJLKNZ-UHFFFAOYSA-N
【SMILES】
CN(C)CCOc1ccc2c(c1)cc([nH]2)C(=O)O
【MOL File】
5-[2-(DIMETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[2-(DIMETHYLAMINO)ETHOXY]-1H-INDOLE-2-CARBOXYLIC ACID.cml