567-95-3
1,8-DIHYDROXY-3-(HYDROXYMETHYL)-2,4,5,7-TETRANITROANTHRAQUINONE
Name1,8-DIHYDROXY-3-(HYDROXYMETHYL)-2,4,5,7-TETRANITROANTHRAQUINONE
1Identification
【Name】
1,8-DIHYDROXY-3-(HYDROXYMETHYL)-2,4,5,7-TETRANITROANTHRAQUINONE
【CAS】
【MDL】
MFCD18449086
【English Synonyms】
【Formula】
C15 H6 N4 O13
【MolWeight】
450.227
【Inchi】
InChI=1S/C15H6N4O13/c20-2-3-10(18(29)30)7-9(15(24)11(3)19(31)32)14(23)8-6(13(7)22)4(16(25)26)1-5(12(8)21)17(27)28/h1,20-21,24H,2H2
【InChIKey】
InChIKey=QFCNNIIPXGJBQT-UHFFFAOYSA-N
【SMILES】
c1c(c2c(c(c1[N+](=O)[O-])O)C(=O)c3c(c(c(c(c3O)[N+](=O)[O-])CO)[N+](=O)[O-])C2=O)[N+](=O)[O-]
【MOL File】
1,8-DIHYDROXY-3-(HYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:17
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,8-DIHYDROXY-3-(HYDROXYMETHYL)-2,4,5,7-TETRANITROANTHRAQUINONE.cml