ChemSpider 2D Image | (4-Hydroxy-3-methoxy-5-nitrophenyl)[4-(~2~H_3_)methyl(~2~H_4_)phenyl]methanone | C15H6D7NO5

(4-Hydroxy-3-methoxy-5-nitrophenyl)[4-(2H3)methyl(2H4)phenyl]methanone

  • Molecular FormulaC15H6D7NO5
  • Average mass294.311 Da
  • Monoisotopic mass294.123322 Da
  • ChemSpider ID103835489

  • Non-standard isotope - Non-standard isotope

More details:

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

(4-Hydroxy-3-methoxy-5-nitrophenyl)[4-(2H3)methyl(2H4)phenyl]methanon [German] [ACD/IUPAC Name]
(4-Hydroxy-3-methoxy-5-nitrophenyl)[4-(2H3)methyl(2H4)phenyl]methanone [ACD/IUPAC Name]
(4-Hydroxy-3-méthoxy-5-nitrophényl)[4-(2H3)méthyl(2H4)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, (4-hydroxy-3-methoxy-5-nitrophenyl)[4-(methyl-d3)phenyl-2,3,5,6-d4]- [ACD/Index Name]
(4-hydroxy-3-methoxy-5-nitrophenyl)-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]methanone
3-O-Methyltolcapone D7
3-O-Methyltolcapone-d7
T10118

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 474.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 240.9±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 65.49
ACD/KOC (pH 5.5): 457.38
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 8.83
Polar Surface Area: 92 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 218.1±3.0 cm3

Click to predict properties on the Chemicalize site


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