(2'S,4'S)-4'-Hydroxy-2',4'-Dimethyl-6'-Methylene-7'-Oxo-1',2',3',4',6',7'-Hexahydrospiro[Cyclopropane-1,5'-Indene]-2'-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (2s,4s)-4-hydroxy-2,4-dimethyl-6-methylene-7-oxo-spiro[1,3-dihydroindene-5,1'-cyclopropane]-2-carboxylic acid
Molecular Mass 262.301 g·mol−1
Heat of Formation -586.4 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 318.92 Å 3
Surface Area 266.71 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-4-hydroxy-2,4-dimethyl-6-methylene-7-oxo-2-spiro[1,3-dihydroindene-5,1'-cyclopropane]carboxylic acid
  • (2s,4s)-4-hydroxy-2,4-dimethyl-6-methylene-7-oxo-spiro[1,3-dihydroindene-5,1'-cyclopropane]-2-carboxylic acid
  • (2s,4s)-4-hydroxy-2,4-dimethyl-6-methylidene-7-oxo-spiro[1,3-dihydroindene-5,1'-cyclopropane]-2-carboxylic acid
  • (2s,4s)-4-hydroxy-2,4-dimethyl-6-methylidene-7-oxospiro[1,3-dihydroindene-5,1'-cyclopropane]-2-carboxylic acid
  • (2s,4s)-4-hydroxy-7-keto-2,4-dimethyl-6-methylene-spiro[1,3-dihydroindene-5,1'-cyclopropane]-2-carboxylic acid
InChIKey XVLXBOQONSPNGH-KGLIPLIRSA-N
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