ChemSpider 2D Image | 4-{(E)-[4-(Methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid | C15H13NO5

4-{(E)-[4-(Methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid

  • Molecular FormulaC15H13NO5
  • Average mass287.267 Da
  • Monoisotopic mass287.079376 Da
  • ChemSpider ID26495948

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-carboxylic acid, 4-[(4-carboxyphenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-, 3-methyl ester, (4E)- [ACD/Index Name]
312515-37-0 [RN]
4-{(E)-[4-(Methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-yliden]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{(E)-[4-(Methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{(E)-[4-(méthoxycarbonyl)-5-méthyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidène]méthyl}benzoïque [French] [ACD/IUPAC Name]
4-(4-Carboxy-benzylidene)-2-methyl-5-oxo-4,5-dihydro-1 H -pyrrole-3-carboxylic acid methyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 299.0±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.84
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 208.4±3.0 cm3

Click to predict properties on the Chemicalize site


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