ChemSpider 2D Image | peyoruvic acid | C13H17NO5

peyoruvic acid

  • Molecular FormulaC13H17NO5
  • Average mass267.278 Da
  • Monoisotopic mass267.110687 Da
  • ChemSpider ID57454529

More details:

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

1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-8-hydroxy-6,7-dimethoxy-1-methyl- [ACD/Index Name]
8-Hydroxy-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydro-1-isochinolincarbonsäure [German] [ACD/IUPAC Name]
8-Hydroxy-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid [ACD/IUPAC Name]
Acide 8-hydroxy-6,7-diméthoxy-1-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
peyoruvic acid
1-ISOQUINOLINECARBOXYLICACID, 1,2,3,4-TETRAHYDRO-8-HYDROXY-6,7-DIMETHOXY-1-METHYL- (9CI)
29194-00-1 [RN]
8-Hydroxy-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 469.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 237.5±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 209.4±3.0 cm3

Click to predict properties on the Chemicalize site


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