ChemSpider 2D Image | Plantagonine | C10H11NO2

Plantagonine

  • Molecular FormulaC10H11NO2
  • Average mass177.200 Da
  • Monoisotopic mass177.078979 Da
  • ChemSpider ID52083452

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-7-Methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-carbonsäure [German] [ACD/IUPAC Name]
(7S)-7-Methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid [ACD/IUPAC Name]
21913-34-8 [RN]
5H-Cyclopenta[c]pyridine-4-carboxylic acid, 6,7-dihydro-7-methyl-, (7S)- [ACD/Index Name]
Acide (7S)-7-méthyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylique [French] [ACD/IUPAC Name]
Plantagonine
5H-CYCLOPENTA[C]PYRIDINE-4-CARBOXYLIC ACID, 6,7-DIHYDRO-7-METHYL-,(7S)-

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

U47Y65RF6Q [DBID]
UNII:U47Y65RF6Q [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 315.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 144.5±27.9 °C
Index of Refraction: 1.582
Molar Refractivity: 48.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 144.3±3.0 cm3

Click to predict properties on the Chemicalize site


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