22246-75-9
3,4,5,6-TETRAHYDROBENZO[B]AZOCIN-2(1H)-ONE
Name3,4,5,6-TETRAHYDROBENZO[B]AZOCIN-2(1H)-ONE
1Identification
【Name】
3,4,5,6-TETRAHYDROBENZO[B]AZOCIN-2(1H)-ONE
【CAS】
【MDL】
MFCD00024152
【English Synonyms】
【Formula】
C11 H13 N O
【MolWeight】
175.23
【Inchi】
InChI=1S/C11H13NO/c13-11-8-4-2-6-9-5-1-3-7-10(9)12-11/h1,3,5,7H,2,4,6,8H2,(H,12,13)
【InChIKey】
InChIKey=LROOVTDSEGKMHC-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCCCC(=O)N2
【MOL File】
3,4,5,6-TETRAHYDROBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3,4,5,6-TETRAHYDROBENZO[B]AZOCIN-2(1H)-ONE.cml