Found 4 results

Search term: QMSJLUUYOILPLB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2Z)-3-[5-(Methoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]acrylic acid | C10H11NO4

(2Z)-3-[5-(Methoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]acrylic acid

  • Molecular FormulaC10H11NO4
  • Average mass209.199 Da
  • Monoisotopic mass209.068802 Da
  • ChemSpider ID21474005

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[5-(Methoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]acrylic acid [ACD/IUPAC Name]
(2Z)-3-[5-(Methoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]acrylsäure [German] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 4-[(Z)-2-carboxyethenyl]-1-methyl-, 2-methyl ester [ACD/Index Name]
Acide (2Z)-3-[5-(méthoxycarbonyl)-1-méthyl-1H-pyrrol-3-yl]acrylique [French] [ACD/IUPAC Name]
261349-45-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 393.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 191.9±25.1 °C
Index of Refraction: 1.534
Molar Refractivity: 53.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.55
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 172.5±7.0 cm3

Click to predict properties on the Chemicalize site


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