ChemSpider 2D Image | 8-desmethylnovobiocic acid | C21H19NO6

8-desmethylnovobiocic acid

  • Molecular FormulaC21H19NO6
  • Average mass381.379 Da
  • Monoisotopic mass381.121246 Da
  • ChemSpider ID29368138

More details:

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

8-desmethylnovobiocic acid
Benzamide, N-(4,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
N-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamid [German] [ACD/IUPAC Name]
N-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide [ACD/IUPAC Name]
N-(4,7-Dihydroxy-2-oxo-2H-chromén-3-yl)-4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzamide [French] [ACD/IUPAC Name]
8-demethylnovobiocic acid
C20629
N-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 708.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 6.70
ACD/KOC (pH 5.5): 64.18
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 262.5±5.0 cm3

Click to predict properties on the Chemicalize site


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