3-(1-Hexyn-1-Yl)-3-Hydroxy-5-Nitro-1,3-Dihydro-2H-Indol-2-One

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Properties Simple | Detailed

Formula C14H14N2O4
IUPAC Name (3r)-3-hex-1-ynyl-3-hydroxy-5-nitro-indolin-2-one
Molecular Mass 274.272 g·mol−1
Heat of Formation -88.7 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 319.84 Å 3
Surface Area 304.4 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
InChIKey XTBVUYWNYGORBR-CQSZACIVSA-N
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