73462-83-6
(-)-ENDO-BORNYLTRIAZOLINEDIONE
Name(-)-ENDO-BORNYLTRIAZOLINEDIONE
1Identification
【Name】
(-)-ENDO-BORNYLTRIAZOLINEDIONE
【CAS】
【MDL】
MFCD16876447
【English Synonyms】
【Formula】
C12 H17 N3 O2
【MolWeight】
235.285
【Inchi】
InChI=1S/C12H17N3O2/c1-11(2)7-4-5-12(11,3)8(6-7)15-9(16)13-14-10(15)17/h7-8H,4-6H2,1-3H3/t7-,8+,12+/m1/s1
【InChIKey】
InChIKey=NSJFXAKQGPJLNN-LWINAJNOSA-N
【SMILES】
CC1([C@@H]2CC[C@]1([C@H](C2)N3C(=O)N=NC3=O)C)C
【MOL File】
(-)-ENDO-BORNYLTRIAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(-)-ENDO-BORNYLTRIAZOLINEDIONE.cml