168271-91-8
4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID
Name4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID
1Identification
【Name】
4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11044063
【English Synonyms】
【Formula】
C9 H9 N O3
【MolWeight】
179.174
【Inchi】
InChI=1S/C9H9NO3/c11-7-3-1-2-6-8(7)5(4-10-6)9(12)13/h4,10H,1-3H2,(H,12,13)
【InChIKey】
InChIKey=IOPXFUALWUTZQK-UHFFFAOYSA-N
【SMILES】
c1c(c2c([nH]1)CCCC2=O)C(=O)O
【MOL File】
4-OXO-4,5,6,7-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID.cml