ChemSpider 2D Image | Seratrodast | C22H26O4

Seratrodast

  • Molecular FormulaC22H26O4
  • Average mass354.439 Da
  • Monoisotopic mass354.183105 Da
  • ChemSpider ID26943933

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7-[3-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)phenyl]heptanoic acid [ACD/IUPAC Name]
7-[3-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)phenyl]heptansäure [German] [ACD/IUPAC Name]
Acide 7-[3-(2,4,5-triméthyl-3,6-dioxo-1,4-cyclohexadién-1-yl)phényl]heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 3-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)- [ACD/Index Name]
Seratrodast [INN] [JAN] [USAN] [Wiki]
2320856-63-9 [RN]
5-(2,4,5-Trimethyl-3,6,-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic acid
7-(3',4',6'-Trimethyl-2',5'-dioxo-2',5'-dihydro-[1,1'-biphenyl]-3-yl)heptanoic acid
7-(3,5,6-Trimethy1-1,4-benzoquinon-2-y1)-7-phenylheptanoic acid
7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptanoicacid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 550.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 301.0±26.6 °C
Index of Refraction: 1.554
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 288.14
ACD/KOC (pH 5.5): 1186.69
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 4.62
ACD/KOC (pH 7.4): 19.01
Polar Surface Area: 71 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

Click to predict properties on the Chemicalize site


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