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@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},
}
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