208774-11-2
1H-INDOLE-1,4-DICARBOXYLIC ACID,2,3-DIHYDRO-,1-(1,1-DIMETHYLETHYL)ESTER
Name1H-INDOLE-1,4-DICARBOXYLIC ACID,2,3-DIHYDRO-,1-(1,1-DIMETHYLETHYL)ESTER
1Identification
【Name】
1H-INDOLE-1,4-DICARBOXYLIC ACID,2,3-DIHYDRO-,1-(1,1-DIMETHYLETHYL)ESTER
【CAS】
【MDL】
MFCD11617213
【English Synonyms】
【Formula】
C14 H17 N O4
【MolWeight】
263.291
【Inchi】
InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-7-9-10(12(16)17)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3,(H,16,17)
【InChIKey】
InChIKey=GBLIAEPBAXYOCN-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2c1cccc2C(=O)O
【MOL File】
1H-INDOLE-1,4-DICARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1,4-DICARBOXYLIC ACID,2,3-DIHYDRO-,1-(1,1-DIMETHYLETHYL)ESTER.cml