54945-27-6
6,9-DIOXA-3,12,18-TRIAZABICYCLO[12.3.1]OCTADECA-1(18)14,16-TRIENE-2,13-DIONE
Name6,9-DIOXA-3,12,18-TRIAZABICYCLO[12.3.1]OCTADECA-1(18)14,16-TRIENE-2,13-DIONE
1Identification
【Name】
6,9-DIOXA-3,12,18-TRIAZABICYCLO[12.3.1]OCTADECA-1(18)14,16-TRIENE-2,13-DIONE
【CAS】
【MDL】
MFCD03411801
【English Synonyms】
【Formula】
C13 H17 N3 O4
【MolWeight】
279.294
【Inchi】
InChI=1S/C13H17N3O4/c17-12-10-2-1-3-11(16-10)13(18)15-5-7-20-9-8-19-6-4-14-12/h1-3H,4-9H2,(H,14,17)(H,15,18)
【InChIKey】
InChIKey=AHXQSQFHXUVYPY-UHFFFAOYSA-N
【SMILES】
c1cc2nc(c1)C(=O)NCCOCCOCCNC2=O
【MOL File】
6,9-DIOXA-3,12,18-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6,9-DIOXA-3,12,18-TRIAZABICYCLO[12.3.1]OCTADECA-1(18)14,16-TRIENE-2,13-DIONE.cml