4-(2,4-Hexadien-1-Yl)-3-(2-Hydroxypropyl)-2(5H)-Furanone

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Properties Simple | Detailed

Formula C13H18O3
IUPAC Name 3-[(2e,4e)-hexa-2,4-dienyl]-4-[(2r)-2-hydroxypropyl]-2h-furan-5-one
Molecular Mass 222.280 g·mol−1
Heat of Formation -458.7 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 290.95 Å 3
Surface Area 276.5 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
InChIKey KELRJXQJITUJOU-MGCXLJFFSA-N
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Elements H C O