6-(1-Hydroxyethyl)-3-Methyl-7-Oxo-4-Oxa-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C9H11NO5
IUPAC Name (5r,6r)-6-[(1r)-1-hydroxyethyl]-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 213.187 g·mol−1
Heat of Formation -723.7 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 237.18 Å 3
Surface Area 224.19 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey NIPBXCSEIQAANF-UWBRJAPDSA-N
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