ChemSpider 2D Image | ENTACAPONE ACID | C10H6N2O6

ENTACAPONE ACID

  • Molecular FormulaC10H6N2O6
  • Average mass250.164 Da
  • Monoisotopic mass250.022583 Da
  • ChemSpider ID27524669

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Cyan-3-(3,4-dihydroxy-5-nitrophenyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylic acid [ACD/IUPAC Name]
160391-70-8 [RN]
2-Propenoic acid, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-, (2E)- [ACD/Index Name]
Acide (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophényl)acrylique [French] [ACD/IUPAC Name]
ENTACAPONE ACID
(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoic Acid
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-2-propenoic acid
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoic acid
(E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)prop-2-enoic acid
More...

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

3U917C92QR [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.750
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 107.5±3.0 dyne/cm
Molar Volume: 143.4±3.0 cm3

Click to predict properties on the Chemicalize site


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