831171-82-5
CYCLOHEPTA[CD][2,1]BENZISOXAZOLE, 3,4,5,5A,9A,9B-HEXAHYDRO-, (5AR,9AR,9BR)-REL-
NameCYCLOHEPTA[CD][2,1]BENZISOXAZOLE, 3,4,5,5A,9A,9B-HEXAHYDRO-, (5AR,9AR,9BR)-REL-
1Identification
【Name】
CYCLOHEPTA[CD][2,1]BENZISOXAZOLE, 3,4,5,5A,9A,9B-HEXAHYDRO-, (5AR,9AR,9BR)-REL-
【CAS】
【MDL】
MFCD17017799
【English Synonyms】
CYCLOHEPTA[CD][2,1]BENZISOXAZOLE, 3,4,5,5A,9A,9B-HEXAHYDRO-, (5AR,9AR,9BR)-REL-
【Formula】
C11H13NO
【MolWeight】
175.23
【Inchi】
InChI=1S/C11H13NO/c1-2-7-10-11-8(4-1)5-3-6-9(11)12-13-10/h1-2,4,7-8,10-11H,3,5-6H2/t8-,10+,11+/m0/s1
【InChIKey】
InChIKey=NYTGMYXPJXQPNH-JMJZKYOTSA-N
【SMILES】
[H][C@@]12ON=C3CCC[C@]([H])(C=CC=C1)[C@@]23[H]
【MOL File】
CYCLOHEPTA[CD][2,1]B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.3353
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOHEPTA[CD][2,1]BENZISOXAZOLE, 3,4,5,5A,9A,9B-HEXAHYDRO-, (5AR,9AR,9BR)-REL-.cml