ChemSpider 2D Image | (4R)-4-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydro-7,8-isoquinolinediol | C15H15NO4

(4R)-4-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydro-7,8-isoquinolinediol

  • Molecular FormulaC15H15NO4
  • Average mass273.284 Da
  • Monoisotopic mass273.100098 Da
  • ChemSpider ID28500135

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydro-7,8-isochinolindiol [German] [ACD/IUPAC Name]
(4R)-4-(3,4-Dihydroxyphényl)-1,2,3,4-tétrahydro-7,8-isoquinoléinediol [French] [ACD/IUPAC Name]
(4R)-4-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydro-7,8-isoquinolinediol [ACD/IUPAC Name]
7,8-Isoquinolinediol, 4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydro-, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 539.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 229.7±20.7 °C
Index of Refraction: 1.703
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.95
Polar Surface Area: 93 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 190.2±3.0 cm3

Click to predict properties on the Chemicalize site


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