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Search term: 30790748 (Found by CSID)
ChemSpider 2D Image | 5-[(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid | C16H12N2O7

5-[(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC16H12N2O7
  • Average mass344.276 Da
  • Monoisotopic mass344.064453 Da
  • ChemSpider ID30790748

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[[(4,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl- [ACD/Index Name]
5-[(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-methyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(4,7-dihydroxy-2-oxo-2H-chromén-3-yl)carbamoyl]-4-méthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate
C20637

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

Density: 1.7±0.1 g/cm3
Boiling Point: 822.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.2±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 108.7±5.0 dyne/cm
Molar Volume: 197.5±5.0 cm3

Click to predict properties on the Chemicalize site


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