(-)-Chorismic Acid

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Properties Simple | Detailed

Formula C10H10O6
IUPAC Name (3r,4r)-3-(1-carboxyvinyloxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid
Molecular Mass 226.183 g·mol−1
Heat of Formation -877.4 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 251.49 Å 3
Surface Area 240.31 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-chorismic acid (3r-trans)-3-(1-carboxyvinyloxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
  • (3r,4r)-3-(1-carboxyethenoxy)-4-hydroxy-1-cyclohexa-1,5-dienecarboxylic acid
  • (3r,4r)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid
  • (3r,4r)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
  • (3r,4r)-3-[(1-carboxyvinyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
  • (3r,4r)-4-hydroxy-3-(3-hydroxy-3-oxo-prop-1-en-2-yl)oxy-cyclohexa-1,5-diene-1-carboxylic acid
  • (3r,4r)-4-hydroxy-3-(3-hydroxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,5-diene-1-carboxylic acid
  • (3r-trans)-3-((1-carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
  • 1,5-cyclohexadiene-1-carboxylic acid, 3-((1-carboxyethenyl)oxy)-4-hydroxy-, (3r-trans)-
  • 1,5-cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3r,4r)-
  • 1,5-cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3r-trans)-
  • 1,5-cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyvinyl)oxy]-4-hydroxy-, (3r-trans)-
  • chorismic acid from enterobacter aerogenes
CAS Number(s)
  • 55508-12-8
InChIKey WTFXTQVDAKGDEY-HTQZYQBOSA-N
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