ChemSpider 2D Image | 4-[(Nitrooxy)carbonyl]benzoic acid | C8H5NO6

4-[(Nitrooxy)carbonyl]benzoic acid

  • Molecular FormulaC8H5NO6
  • Average mass211.128 Da
  • Monoisotopic mass211.011688 Da
  • ChemSpider ID29303680

More details:

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

4-[(Nitrooxy)carbonyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(Nitrooxy)carbonyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(nitrooxy)carbonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(nitrooxy)carbonyl]- [ACD/Index Name]
1334549-60-8 [RN]
4-((nitrooxy)carbonyl)benzoic acid
4-nitrooxycarbonylbenzoic acid
AGN-PC-0JIRXE
AKOS016035444
MFCD30177758

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 435.0±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 216.9±29.3 °C
    Index of Refraction: 1.596
    Molar Refractivity: 46.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.71
    ACD/LogD (pH 7.4): -0.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 109 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 69.5±3.0 dyne/cm
    Molar Volume: 136.1±3.0 cm3

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