Iso-Xanthochymol

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Properties Simple | Detailed

Formula C31H24O6
IUPAC Name 5-ethynyl-4,6-bis[(2-methylenecyclopropylidene)methylene]-2-penta-1,3-diynyl-cyclohex-2-en-1-one; 2-hydroperoxyethynol; prop-1-yne; prop-1-yne-1,3-diol
Molecular Mass 492.519 g·mol−1
Heat of Formation -1074.1 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 768.73 Å 3
Surface Area 541.55 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey KXTNVBQRLRYVCO-LPSZMIQCSA-N
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Elements H C O