561307-68-4
1H-INDOLE-1-CARBOXYLIC ACID, 5-ETHENYL-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 5-ETHENYL-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 5-ETHENYL-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183420
【English Synonyms】
【Formula】
C15 H17 N O2
【MolWeight】
243.304
【Inchi】
InChI=1S/C15H17NO2/c1-5-11-6-7-13-12(10-11)8-9-16(13)14(17)18-15(2,3)4/h5-10H,1H2,2-4H3
【InChIKey】
InChIKey=LLLQQESOZZJGQC-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1ccc2c1ccc(c2)C=C
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 5-ETHENYL-, 1,1-DIMETHYLETHYL ESTER.cml