117760-92-6
TRANS-9,10-DIHYDRO-9,10-DIHYDROXY-6-NITROCHRYSENE
NameTRANS-9,10-DIHYDRO-9,10-DIHYDROXY-6-NITROCHRYSENE
1Identification
【Name】
TRANS-9,10-DIHYDRO-9,10-DIHYDROXY-6-NITROCHRYSENE
【CAS】
【MDL】
MFCD01736498
【English Synonyms】
【Formula】
C18 H13 N O4
【MolWeight】
307.304
【Inchi】
InChI=1S/C18H13NO4/c20-16-8-7-13-15(19(22)23)9-14-11-4-2-1-3-10(11)5-6-12(14)17(13)18(16)21/h1-9,16,18,20-21H/t16-,18+/m1/s1
【InChIKey】
InChIKey=FIVHJEBACQSOKY-AEFFLSMTSA-N
【SMILES】
c1ccc2c(c1)ccc3c2cc(c4c3[C@H]([C@@H](C=C4)O)O)[N+](=O)[O-]
【MOL File】
TRANS-9,10-DIHYDRO-9….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-9,10-DIHYDRO-9,10-DIHYDROXY-6-NITROCHRYSENE.cml