ChemSpider 2D Image | mono-oxazole carboxylic acid | C4H3NO3

mono-oxazole carboxylic acid

  • Molecular FormulaC4H3NO3
  • Average mass113.072 Da
  • Monoisotopic mass113.011292 Da
  • ChemSpider ID11310885

More details:






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

1,3-Oxazol-2-carbonsäure [German] [ACD/IUPAC Name]
1,3-Oxazole-2-carboxylic acid [ACD/IUPAC Name]
2-Oxazolecarboxylic acid [ACD/Index Name]
Acide 1,3-oxazole-2-carboxylique [French] [ACD/IUPAC Name]
mono-oxazole carboxylic acid
(carboxy)oxazolyl
[672948-03-7]
1,3-oxazole-2-carboxylate [ACD/IUPAC Name]
2-Carboxy-oxazole
2-Oxazolecarboxylic Acid (en)
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-06722]
      White Solid to Colorless Liquid Novochemy [NC-44511]
    • Safety:

      20/21/22 Novochemy [NC-06722] , [NC-44511]
      20/21/36/37/39 Novochemy [NC-06722] , [NC-44511]
      GHS07; GHS09 Novochemy [NC-06722] , [NC-44511]
      H332; H403 Novochemy [NC-06722] , [NC-44511]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-44511]
      P309+P311; P211; P242 Novochemy [NC-06722]
      R52/421 Novochemy [NC-44511]
      Warning Novochemy [NC-06722] , [NC-44511]
      Xn Novochemy [NC-06722]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 282.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 124.7±22.6 °C
Index of Refraction: 1.517
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 78.0±3.0 cm3

Click to predict properties on the Chemicalize site






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