5892-43-3
ACENAPHTHENE, COMPD WITH 1,3,5-TRINITROBENZENE
NameACENAPHTHENE, COMPD WITH 1,3,5-TRINITROBENZENE
FormulaC12 H8 . C6 H3 N3 O6
1Identification
【Name】
ACENAPHTHENE, COMPD WITH 1,3,5-TRINITROBENZENE
【CAS】
【MDL】
MFCD19705349
【English Synonyms】
【Formula】
C12 H8 . C6 H3 N3 O6
【MolWeight】
365.3
【Inchi】
InChI=1S/C12H8.C6H3N3O6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-8H;1-3H
【InChIKey】
InChIKey=BDGRNNGECSSCNK-UHFFFAOYSA-N
【SMILES】
c1cc2cccc3c2c(c1)C=C3.c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
ACENAPHTHENE, COMPD ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACENAPHTHENE, COMPD WITH 1,3,5-TRINITROBENZENE.cml