Aspirin Methyl Ester

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Properties Simple | Detailed

Formula C10H10O4
IUPAC Name methyl 2-acetoxybenzoate
Molecular Mass 194.184 g·mol−1
Heat of Formation -611.0 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 226.44 Å 3
Surface Area 219.1 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetoxybenzoic acid methyl ester
  • benzoic acid, 2-(acetyloxy)-, methyl ester
  • fr-0426
  • methyl 2-acetyloxybenzoate
  • methyl acetylsalicylate
  • methyl acetylsalicylic acid
  • methyl aspirin
  • methyl o-acetoxybenzoate
  • methyl o-acetylsalicylate
  • methyl rhodin
  • methylrhodine
  • salicylic acid acetate, methyl ester
  • salicylic acid acetate, methyl ester (8ci)
CAS Number(s)
  • 580-02-9
InChIKey ONWPLBKWMAUFGZ-UHFFFAOYSA-N
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Elements H C O