(5S,6S)-5-[(1-Carboxyvinyl)Oxy]-6-Hydroxy-1,3-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H10O6
IUPAC Name (5s,6s)-5-(1-carboxyvinyloxy)-6-hydroxy-cyclohexa-1,3-diene-1-carboxylic acid
Molecular Mass 226.183 g·mol−1
Heat of Formation -878.2 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 252.66 Å 3
Surface Area 238.16 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s)-5-(1-carboxyethenoxy)-6-hydroxy-1-cyclohexa-1,3-dienecarboxylic acid
  • (5s,6s)-5-(1-carboxyethenoxy)-6-hydroxy-cyclohexa-1,3-diene-1-carboxylic acid
  • (5s,6s)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
  • (5s,6s)-6-hydroxy-5-(3-hydroxy-3-oxo-prop-1-en-2-yl)oxy-cyclohexa-1,3-diene-1-carboxylic acid
  • (5s,6s)-6-hydroxy-5-(3-hydroxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,3-diene-1-carboxylic acid
  • 1,3-cyclohexadiene-1-carboxylic acid, 5-((1-carboxyethenyl)oxy)-6-hydroxy-, trans-
  • 1,3-cyclohexadiene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-6-hydroxy-, (5s,6s)-
  • 1,3-cyclohexadiene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-6-hydroxy-, (5s,6s)- (9ci)
  • 1,3-cyclohexadiene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-6-hydroxy-, (5s-trans)-
  • 1,3-cyclohexadiene-1-carboxylic acid, 5-[(1-carboxyvinyl)oxy]-6-hydroxy-, trans- (8ci)
  • 1,3-cyclohexadiene-1-carboxylic acid, 5-[(1-carboxyvinyl)oxy]-6-hydroxy-, trans- isochorismic acid
  • 5-((1-carboxyethenyl)oxy)-6-hydroxy-1,3-cyclohexadiene-1-carboxylic acid
  • iso-chorismic acid
InChIKey NTGWPRCCOQCMGE-YUMQZZPRSA-N
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