ChemSpider 2D Image | 5-Formyl-2-methyl-1H-pyrrole-3-carboxylic acid | C7H7NO3

5-Formyl-2-methyl-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC7H7NO3
  • Average mass153.135 Da
  • Monoisotopic mass153.042587 Da
  • ChemSpider ID23348957

More details:






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

1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl- [ACD/Index Name]
5-Formyl-2-methyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Formyl-2-methyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-formyl-2-méthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl- (9CI)
1H-PYRROLE-3-CARBOXYLIC ACID,5-FORMYL-2-METHYL-
1H-PYRROLE-3-CARBOXYLICACID, 5-FORMYL-2-METHYL-
442563-59-9 [RN]
AKOS022504764
CTK1D5383
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 384.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 186.3±27.9 °C
Index of Refraction: 1.644
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.72
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 108.2±3.0 cm3

Click to predict properties on the Chemicalize site






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