226710-78-7
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-METHYL-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-METHYL-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-METHYL-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183547
【English Synonyms】
【Formula】
C14 H19 N O2
【MolWeight】
233.309
【Inchi】
InChI=1S/C14H19NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-6,9H,7-8H2,1-4H3
【InChIKey】
InChIKey=KFNYRMQJBZAWLH-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)CCN2C(=O)OC(C)(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, 2,3-DIHYDRO-5-METHYL-, 1,1-DIMETHYLETHYL ESTER.cml