78564-07-5
3-(CYANOMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
Name3-(CYANOMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
3-(CYANOMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09924040
【English Synonyms】
【Formula】
C12 H10 N2 O2
【MolWeight】
214.223
【Inchi】
InChI=1S/C12H10N2O2/c1-16-12(15)11-9(6-7-13)8-4-2-3-5-10(8)14-11/h2-5,14H,6H2,1H3
【InChIKey】
InChIKey=SBRXPBUKYULLEO-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(c2ccccc2[nH]1)CC#N
【MOL File】
3-(CYANOMETHYL)-1H-I….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(CYANOMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER.cml