(-)-Irofulven

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Properties Simple | Detailed

Formula C15H18O3
IUPAC Name (5'r)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-4'-one
Molecular Mass 246.302 g·mol−1
Heat of Formation -334.1 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 302.66 Å 3
Surface Area 260.69 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (5'r)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethyl-4'-spiro[cyclopropane-1,6'-indene]one
  • (5'r)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-4'-one
  • (5'r)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
  • (5'r)-5'-hydroxy-2',5',7'-trimethyl-1'-methylol-spiro[cyclopropane-1,6'-indene]-4'-one
  • 6-(hydroxymethyl)acylfulvene
  • 6-hydroxymethylacylfulvene
  • acylfulvene, 6-(hydroxymethyl)-
  • d04614
  • hmaf
  • irofulven
  • irofulven (usan)
  • mgi 114
  • spiro(cyclopropane-1,5'(5h)-inden)-7'(6'h)-one, 6'-hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethyl-, (r)-
CAS Number(s)
  • 158440-71-2
InChIKey NICJCIQSJJKZAH-AWEZNQCLSA-N
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