Methylenomycin A

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Properties Simple | Detailed

Formula C9H10O4
IUPAC Name (1s,2r,5s)-1,5-dimethyl-3-methylene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
Molecular Mass 182.173 g·mol−1
Heat of Formation -534.0 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 212.44 Å 3
Surface Area 196.85 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,5s)-1,5-dimethyl-3-methylene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
  • (1s,2r,5s)-1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
  • (1s,2r,5s)-4-keto-1,5-dimethyl-3-methylene-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
InChIKey HBECYYFDLZZMPL-WLGLDCGKSA-N
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