ChemSpider 2D Image | peyoxylic acid | C12H15NO5

peyoxylic acid

  • Molecular FormulaC12H15NO5
  • Average mass253.251 Da
  • Monoisotopic mass253.095016 Da
  • ChemSpider ID57454530

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- [ACD/Index Name]
8-Hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isochinolincarbonsäure [German] [ACD/IUPAC Name]
8-Hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid [ACD/IUPAC Name]
Acide 8-hydroxy-6,7-diméthoxy-1,2,3,4-tétrahydro-1-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
peyoxylic acid
1-ISOQUINOLINECARBOXYLICACID, 1,2,3,4-TETRAHYDRO-8-HYDROXY-6,7-DIMETHOXY- (9CI)
29193-99-5 [RN]
8-Hydroxy-6,7-dimethoxy-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: 421.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 208.4±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 63.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 191.0±3.0 cm3

Click to predict properties on the Chemicalize site


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