Crotalarin

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Properties Simple | Detailed

Formula C20H18O5
IUPAC Name 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Molecular Mass 338.354 g·mol−1
Heat of Formation -720.5 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 379.98 Å 3
Surface Area 337.47 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 4h,8h-benzo(1,2-b:3,4-b')dipyran-4-one, 9,10-dihydro-5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-
  • 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-4-one
CAS Number(s)
  • 109517-68-2
InChIKey XIQJWMALSPXBMN-UHFFFAOYSA-N
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