Benzyl 2,5-Diacetoxybenzoate

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Properties Simple | Detailed

Formula C18H16O6
IUPAC Name benzyl 2,5-diacetoxybenzoate
Molecular Mass 328.316 g·mol−1
Heat of Formation -875.4 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 372.17 Å 3
Surface Area 345.34 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-diacetoxybenzoic acid benzyl ester
  • 2,5-diacetoxybenzoic acid phenylmethyl ester
  • b-2,5-dab
  • benzoic acid, 2,5-bis(acetyloxy)-, phenylmethyl ester
  • benzyl-2,5-diacetoxybenzoate
  • phenylmethyl 2,5-diacetoxybenzoate
  • phenylmethyl 2,5-diacetyloxybenzoate
CAS Number(s)
  • 67577-95-1
InChIKey JWYXNLVVVOZIRG-UHFFFAOYSA-N
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