952655-06-0
1H-INDOLE-1-CARBOXYLIC ACID, 2-(3-OXO-1-CYCLOHEXEN-1-YL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 2-(3-OXO-1-CYCLOHEXEN-1-YL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 2-(3-OXO-1-CYCLOHEXEN-1-YL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13192164
【English Synonyms】
【Formula】
C19 H21 N O3
【MolWeight】
311.379
【Inchi】
InChI=1S/C19H21NO3/c1-19(2,3)23-18(22)20-16-10-5-4-7-14(16)12-17(20)13-8-6-9-15(21)11-13/h4-5,7,10-12H,6,8-9H2,1-3H3
【InChIKey】
InChIKey=JAULZOLZQFYDEQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccccc2cc1C3=CC(=O)CCC3
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 2-(3-OXO-1-CYCLOHEXEN-1-YL)-, 1,1-DIMETHYLETHYL ESTER.cml