1-Phenyl-1,2-Propandione

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Properties Simple | Detailed

Formula C9H8O2
IUPAC Name 1-phenylpropane-1,2-dione
Molecular Mass 148.159 g·mol−1
Heat of Formation -196.4 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 181.75 Å 3
Surface Area 181.58 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-propanedione, 1-phenyl-
  • 1-phenyl-1,2-propanedione
  • 3-phenyl-2,3-propanedione
  • acetylbenzoyl
  • benzoyl methyl ketone
  • benzoylacetyl
  • methyl phenyl glyoxal
  • phenyl methyl diketone
  • phenylmethyldiketone
  • pyruvophenone
CAS Number(s)
  • 30581-69-2
  • 579-07-7
InChIKey BVQVLAIMHVDZEL-UHFFFAOYSA-N
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