@chemical{108-95-2,
  cas = {108-95-2},
  formula = {C_6H_6O},
  chemspider = {971},
  pubchem = {996},
  mw = {94.113},
  mass = {94.042},
  IUPAC = {phenol},
  name = {phenol},
  name:en = {phenol},
  name:nl = {fenol},
  name:pl = {fenol},
  name:it = {fenolo},
  name:fr = {phénol},
  name:de = {phenole},
  synonyms = {carbolic acid; hydroxybenzene; monohydroxybenzene; phenic acid;
              phenyl alcohol; benzophenol; carbolicum acidum; phenic alcohol;
              phenyl hydroxide; phenylic acid; carbolic oil; carbolsaeure;},
  molarvolume = {87.9 cm³},
  mp = {42°C},
  bp = {181°C},
  density = {1.071 g/ml},
  ionization = {8.5 eV},
  vaporpressure = {0.4 mmHg},
  refractiveindex = {1.553},
  surfacetension = {41.0 dyne/cm},
  appearance = {Colorless to light-pink, crystalline solid with a sweet, acrid odor},
  chemical = {SIX,ROT,B,EB135,+SR1,RZ1=OH},
  InChI={1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H},
  SMILES={C1=CC=C(C=C1)O},
  jmol = {971.mol},
  rendered = {971.pdf},
}

@chemical{24599-57-3,
  cas = {24599-57-3},
  formula = {C_6H_6O},
  chemspider = {124484},
  pubchem = {141125},
  mw = {94.113},
  mass = {94.042},
  IUPAC = {cyclohexa-2,4-dien-1-one},
  name = {cyclohexadienone},
  name:en = {2,4-cyclohexadien-1-one},
  name:fr = {2,4-cyclohexadién-1-one},
  name:de = {2,4-cyclohexadien-1-on},
  density = {1.1 g/ml},
  bp = {182.4°C},
  refractiveindex = {1.515},
  surfacetension = {37.2 dyne/cm},
  molarvolume = {89.5 cm³},
  chemical = {SIX,ROT,B,EB35,+DR1,RZ1=O},
  InChI={1S/C6H6O/c7-6-4-2-1-3-5-6/h1-4H,5H2},
  SMILES = {C1C=CC=CC1=O},
  jmol = {124484.mol},
  rendered = {124484.pdf},
}

@chemical{566-33-5,
  cas = {566-33-5},
  formula = {C_6H_6O},
  pubchem = {138558},
  chemspider = {122176},
  mw = {94.113},
  mass = {94.042},
  IUPAC = {cyclohexa-2,5-dien-1-one},
  name = {2,5-cyclohexadienone},
  name:en = {2,5-cyclohexadien-1-one},
  name:fr = {2,5-cyclohexadién-1-one},
  name:de = {2,5-cyclohexadien-1-on},
  density = {1.1 g/ml},
  bp = {173°C},
  refractiveindex = {1.515},
  surfacetension = {37.2 dyne/cm},
  molarvolume = {89.5 cm³},
  chemical = {SIX,ROT,B,EB25,+DR1,RZ1=O},
  InChI = {1S/C6H6O/c7-6-4-2-1-3-5-6/h2-5H,1H2},
  SMILES = {C1C=CC(=O)C=C1},
  jmol = {122176.mol},
  rendered = {122176.pdf},
}

@chemical{291-70-3,
  cas = {291-70-3},
  chemspider = {4953942},
  pubchem = {6451477},
  formula = {C_6H_6O},
  mw = {94.113},
  mass = {94.042},
  IUPAC = {oxepine},
  name = {oxepin},
  name:en = {Oxacycloheptatriene},
  name:fr = {oxépine},
  name:de = {oxepin},
  density = {1.0 g/ml},
  bp = {183.1°C},
  refractiveindex = {1.502},
  surfacetension = {39.9 dyne/cm},
  molarvolume = {95.1 cm³},
  chemical = {SEVEN,ROT,+SB7,-SB1,B2..6,EB246,Z1=O},
  InChI={1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H},
  SMILES = {C1=CC=COC=C1},
  jmol = {4953942.mol},
  rendered = {4953942.pdf},
}
