ChemSpider 2D Image | 4-[(1Z)-2-Nitro-1-propen-1-yl]-1,2-benzenediol | C9H9NO4

4-[(1Z)-2-Nitro-1-propen-1-yl]-1,2-benzenediol

  • Molecular FormulaC9H9NO4
  • Average mass195.172 Da
  • Monoisotopic mass195.053162 Da
  • ChemSpider ID77045498

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Benzenediol, 4-[(1Z)-2-nitro-1-propen-1-yl]- [ACD/Index Name]
4-[(1Z)-2-Nitro-1-propen-1-yl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1Z)-2-Nitro-1-propén-1-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1Z)-2-Nitro-1-propen-1-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
13662-96-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 383.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 170.9±13.6 °C
Index of Refraction: 1.662
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.69
ACD/KOC (pH 5.5): 214.52
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.24
ACD/KOC (pH 7.4): 206.96
Polar Surface Area: 86 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 139.8±3.0 cm3

Click to predict properties on the Chemicalize site


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