503614-75-3
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(2-OXO-1(2H)-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(2-OXO-1(2H)-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(2-OXO-1(2H)-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183531
【English Synonyms】
【Formula】
C18 H20 N2 O3
【MolWeight】
312.367
【Inchi】
InChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20-11-9-13-12-14(7-8-15(13)20)19-10-5-4-6-16(19)21/h4-8,10,12H,9,11H2,1-3H3
【InChIKey】
InChIKey=XGPIPLKBEHRXJA-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2c1ccc(c2)n3ccccc3=O
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(2-OXO-1(2H)-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER.cml