(1S,2S)-6-Nitro-1,2-Dihydro-1,2-Chrysenediol

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Properties Simple | Detailed

Formula C18H13NO4
IUPAC Name (1s,2s)-6-nitro-1,2-dihydrochrysene-1,2-diol
Molecular Mass 307.300 g·mol−1
Heat of Formation -97.8 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 335.4 Å 3
Surface Area 297.78 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1,2-dihydro-6-nitrochrysene-1,2-diol
  • 1,2-chrysenediol, 1,2-dihydro-6-nitro-, trans-
  • 1,2-dihydro-1,2-dihydroxy-6-nitrochrysene
  • chrysene-1,2-diol, 1,2-dihydro-6-nitro-, (1r,2r)-rel-
  • chrysene-1,2-diol, 1,2-dihydro-6-nitro-, (e)-
  • trans-1,2-dihydro-1,2-dihydroxy-6-nitrochrysene
  • trans-6-nitrochrysene-1,2-dihydrodiol
CAS Number(s)
  • 91828-72-7
InChIKey LZFRXTYVXJWZHG-ROUUACIJSA-N
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