3-Hydroxy-2,2-Dimethyl-4-[(3-Oxo-1-Cyclopenten-1-Yl)Oxy]-6-Chromanecarbonitrile

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Properties Simple | Detailed

Formula C17H17NO4
IUPAC Name (3r,4r)-3-hydroxy-2,2-dimethyl-4-(3-oxocyclopenten-1-yl)oxy-chromane-6-carbonitrile
Molecular Mass 299.321 g·mol−1
Heat of Formation -447.0 ± 16.7 kJ·mol−1
Dipole Moment 9.34 ± 1.08 D
Volume 352.87 Å 3
Surface Area 311.83 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey WJBHHTPFTVKZCV-HZPDHXFCSA-N
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