(2S)-2-Amino-3-[(5S)-4,5-Dihydroxycyclohexa-1,3-Dien-1-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C9H13NO4
IUPAC Name (2s)-2-amino-3-[(5s)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid
Molecular Mass 199.204 g·mol−1
Heat of Formation -681.6 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 237.35 Å 3
Surface Area 220.57 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey RUANPLXTEPCNMW-XPUUQOCRSA-N
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