593237-05-9
4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID
Name4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID
1Identification
【Name】
4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID
【CAS】
【MDL】
MFCD03906484
【English Synonyms】
【Formula】
C19 H17 N O3
【MolWeight】
307.347
【Inchi】
InChI=1S/C19H17NO3/c1-2-14-4-3-5-17-16(12-21)11-20(18(14)17)10-13-6-8-15(9-7-13)19(22)23/h3-9,11-12H,2,10H2,1H3,(H,22,23)
【InChIKey】
InChIKey=AAQSASPIKZTNFR-UHFFFAOYSA-N
【SMILES】
CCc1cccc2c1n(cc2C=O)Cc3ccc(cc3)C(=O)O
【MOL File】
4-[(7-ETHYL-3-FORMYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID.cml