777061-26-4
1H-INDOLE-1-CARBOXYLIC ACID, 5-(2-METHOXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 5-(2-METHOXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 5-(2-METHOXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183408
【English Synonyms】
【Formula】
C20 H21 N O3
【MolWeight】
323.39
【Inchi】
InChI=1S/C20H21NO3/c1-20(2,3)24-19(22)21-12-11-15-13-14(9-10-17(15)21)16-7-5-6-8-18(16)23-4/h5-13H,1-4H3
【InChIKey】
InChIKey=HITFZUBFUHTLJV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1ccc2c1ccc(c2)c3ccccc3OC
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 5-(2-METHOXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER.cml