866587-86-2
1H-INDOLE-1-CARBOXYLIC ACID, 5-(3-FORMYLPHENYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 5-(3-FORMYLPHENYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 5-(3-FORMYLPHENYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183401
【English Synonyms】
【Formula】
C20 H19 N O3
【MolWeight】
321.374
【Inchi】
InChI=1S/C20H19NO3/c1-20(2,3)24-19(23)21-10-9-17-12-16(7-8-18(17)21)15-6-4-5-14(11-15)13-22/h4-13H,1-3H3
【InChIKey】
InChIKey=FWRGEIXOQWIBED-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1ccc2c1ccc(c2)c3cccc(c3)C=O
【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, 5-(3-FORMYLPHENYL)-, 1,1-DIMETHYLETHYL ESTER.cml