Found 1 result

Search term: 78435908 (Found by CSID)
ChemSpider 2D Image | 4-Hydroxy-3-[(1Z)-3-hydroxy-3-methyl-1-buten-1-yl]benzoic acid | C12H14O4

4-Hydroxy-3-[(1Z)-3-hydroxy-3-methyl-1-buten-1-yl]benzoic acid

  • Molecular FormulaC12H14O4
  • Average mass222.237 Da
  • Monoisotopic mass222.089203 Da
  • ChemSpider ID78435908

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Hydroxy-3-[(1Z)-3-hydroxy-3-methyl-1-buten-1-yl]benzoesäure [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(1Z)-3-hydroxy-3-methyl-1-buten-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-hydroxy-3-[(1Z)-3-hydroxy-3-méthyl-1-butén-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3-[(1Z)-3-hydroxy-3-methyl-1-buten-1-yl]- [ACD/Index Name]
(Z)-4-Hydroxy-3-(3-hydroxy-3-methylbut-1-en-1-yl)- benzoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 245.0±25.2 °C
Index of Refraction: 1.637
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 39.33
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 171.9±3.0 cm3

Click to predict properties on the Chemicalize site


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