ChemSpider 2D Image | MFCD08702810 | C10D7NO3

MFCD08702810

  • Molecular FormulaC10D7NO3
  • Average mass196.211 Da
  • Monoisotopic mass196.086533 Da
  • ChemSpider ID49071160

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-2-Cyan-3-[4-(2H)hydroxy(2H4)phenyl](2H)-2-propen(2H)säure [German] [ACD/IUPAC Name]
(2E)-2-Cyano-3-[4-(2H)hydroxy(2H4)phenyl](2H)-2-propen(2H)oic acid [ACD/IUPAC Name]
1173097-47-6 [RN]
2-Propenoic-3-d acid-d, 2-cyano-3-[4-(hydroxy-d)phenyl-2,3,5,6-d4]-, (2E)- [ACD/Index Name]
Acide (2E)-2-cyano-3-[4-(2H)hydroxy(2H4)phényl](2H)-2-propén(2H)oïque [French] [ACD/IUPAC Name]
MFCD08702810
α-CYANO-4-HYDROXYCINNAMIC ACID-D7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 398.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 194.5±25.1 °C
Index of Refraction: 1.674
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 133.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement