55982-93-9
1,2-DIHYDRO-A-METHYL-3H-CYCLOBUT[B]INDOLE-3-ACETONITRILE
Name1,2-DIHYDRO-A-METHYL-3H-CYCLOBUT[B]INDOLE-3-ACETONITRILE
1Identification
【Name】
1,2-DIHYDRO-A-METHYL-3H-CYCLOBUT[B]INDOLE-3-ACETONITRILE
【CAS】
【MDL】
MFCD21362935
【English Synonyms】
【Formula】
C13 H12 N2
【MolWeight】
196.252
【Inchi】
InChI=1S/C13H12N2/c1-9(8-14)15-12-5-3-2-4-10(12)11-6-7-13(11)15/h2-5,9H,6-7H2,1H3
【InChIKey】
InChIKey=SQHBLNRISXFYCK-UHFFFAOYSA-N
【SMILES】
CC(C#N)n1c2ccccc2c3c1CC3
【MOL File】
1,2-DIHYDRO-A-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-A-METHYL-3H-CYCLOBUT[B]INDOLE-3-ACETONITRILE.cml