3-Hydroxypropyl Benzoate

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Properties Simple | Detailed

Formula C10H12O3
IUPAC Name 3-hydroxypropyl benzoate
Molecular Mass 180.200 g·mol−1
Heat of Formation -462.0 ± 16.7 kJ·mol−1
Dipole Moment 0.46 ± 1.08 D
Volume 221.34 Å 3
Surface Area 222.84 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediol, monobenzoate
  • 1-o-benzoyl-1,3-propanediol
  • benzoic acid 3-hydroxypropyl ester
CAS Number(s)
  • 6946-99-2
InChIKey BZISNWGGPWSXTK-UHFFFAOYSA-N
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Elements H C O