5-Sulfooxymethylfurfural

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Properties Simple | Detailed

Formula C6H6O6S
IUPAC Name (5-formyl-2-furyl)methyl hydrogen sulfate
Molecular Mass 206.173 g·mol−1
Heat of Formation -832.0 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 202.89 Å 3
Surface Area 207.43 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (5-formylfuran-2-yl)methyl hydrogen sulfate
  • (5-methanoylfuran-2-yl)methyl hydrogen sulfate
  • 5-((sulfooxy)methyl)-2-furancarboxaldehyde
CAS Number(s)
  • 159091-35-7
InChIKey WVMJEBICTINBRO-UHFFFAOYSA-N
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