517-92-0
1,8-DIHYDROXY-2,4,5,7-TETRANITROANTHRAQUINONE
Name1,8-DIHYDROXY-2,4,5,7-TETRANITROANTHRAQUINONE
1Identification
【Name】
1,8-DIHYDROXY-2,4,5,7-TETRANITROANTHRAQUINONE
【CAS】
【MDL】
MFCD01741802
【English Synonyms】
【Formula】
C14 H4 N4 O12
【MolWeight】
420.202
【Inchi】
InChI=1S/C14H4N4O12/c19-11-5(17(27)28)1-3(15(23)24)7-9(11)14(22)10-8(13(7)21)4(16(25)26)2-6(12(10)20)18(29)30/h1-2,19-20H
【InChIKey】
InChIKey=YYOOOMNEONKALI-UHFFFAOYSA-N
【SMILES】
c1c(c2c(c(c1[N+](=O)[O-])O)C(=O)c3c(c(cc(c3O)[N+](=O)[O-])[N+](=O)[O-])C2=O)[N+](=O)[O-]
【MOL File】
1,8-DIHYDROXY-2,4,5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:16
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,8-DIHYDROXY-2,4,5,7-TETRANITROANTHRAQUINONE.cml