(3S)-3-(Phosphonooxy)-1-Cyclohexene-1-Carboxylic Acid

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Formula C7H11O6P
IUPAC Name (3s)-3-phosphonooxycyclohexene-1-carboxylic acid
Molecular Mass 222.132 g·mol−1
Heat of Formation -1406.5 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 234.81 Å 3
Surface Area 224.34 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-phosphonooxy-1-cyclohexenecarboxylic acid
  • (3s)-3-phosphonooxycyclohexene-1-carboxylic acid
  • 4,5-dideoxy-s3p
  • 4,5-dideoxyshikimate 3-phosphate
  • 4,5-dideoxyshikimic acid 3-phosphate
  • dds3p
CAS Number(s)
  • 122741-61-1
InChIKey XGUYJKAVWJYMQN-LURJTMIESA-N
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