60652-00-8
2H-ISOINDOLE-1-CARBOXYLIC ACID 4,5,6,7-TETRAHYDRO-, METHYL ESTER
Name2H-ISOINDOLE-1-CARBOXYLIC ACID 4,5,6,7-TETRAHYDRO-, METHYL ESTER
1Identification
【Name】
2H-ISOINDOLE-1-CARBOXYLIC ACID 4,5,6,7-TETRAHYDRO-, METHYL ESTER
【CAS】
【MDL】
MFCD13183840
【English Synonyms】
【Formula】
C10 H13 N O2
【MolWeight】
179.218
【Inchi】
InChI=1S/C10H13NO2/c1-13-10(12)9-8-5-3-2-4-7(8)6-11-9/h6,11H,2-5H2,1H3
【InChIKey】
InChIKey=GLTISFHRQZRXPY-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c2c(c[nH]1)CCCC2
【MOL File】
2H-ISOINDOLE-1-CARBO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-ISOINDOLE-1-CARBOXYLIC ACID 4,5,6,7-TETRAHYDRO-, METHYL ESTER.cml