(10S,11S)-4-(Hydroxymethyl)-10,11-Dihydro-10,11-Tetraphenediol

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Properties Simple | Detailed

Formula C19H16O3
IUPAC Name (10s,11s)-4-(hydroxymethyl)-10,11-dihydrobenzo[b]phenanthrene-10,11-diol
Molecular Mass 292.329 g·mol−1
Heat of Formation -280.0 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 336.57 Å 3
Surface Area 301.68 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (10s,11s)-4-(hydroxymethyl)-10,11-dihydrobenzo[h]phenanthrene-10,11-diol
  • (10s,11s)-4-methylol-10,11-dihydrobenzo[h]phenanthrene-10,11-diol
  • 4-hydroxymethylbenz(a)anthracene-10,11-dihydrodiol
  • 4-ohmba-10,11
  • benz(a)anthracene-10,11-diol, 10,11-dihydro-4-(hydroxymethyl)-, (10s-trans)-
CAS Number(s)
  • 88054-39-1
  • 88195-60-2
InChIKey PJTMSYPBIAPKRA-OALUTQOASA-N
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