Methyl (3As,8Bs)-3A,8B-Dihydroxy-2-Methyl-4-Oxo-1,3A,4,8B-Tetrahydroindeno[1,2-B]Pyrrole-3-Carboxylate

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Properties Simple | Detailed

Formula C14H13NO5
IUPAC Name methyl (3as,8bs)-3a,8b-dihydroxy-2-methyl-4-oxo-1h-indeno[1,2-b]pyrrole-3-carboxylate
Molecular Mass 275.257 g·mol−1
Heat of Formation -704.1 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 301.45 Å 3
Surface Area 269.25 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,8bs)-3a,8b-dihydroxy-2-methyl-4-oxo-1h-indeno[2,1-d]pyrrole-3-carboxylic acid methyl ester
  • (3as,8bs)-3a,8b-dihydroxy-4-keto-2-methyl-1h-indeno[2,1-d]pyrrole-3-carboxylic acid methyl ester
  • methyl (3as,8bs)-3a,8b-dihydroxy-2-methyl-4-oxo-1h-indeno[2,1-d]pyrrole-3-carboxylate
InChIKey FVZIBKWWEYAZFF-KGLIPLIRSA-N
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