ChemSpider 2D Image | [2,3,4-Trihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]acetic acid | C14H18O6

[2,3,4-Trihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]acetic acid

  • Molecular FormulaC14H18O6
  • Average mass282.289 Da
  • Monoisotopic mass282.110352 Da
  • ChemSpider ID74851720

More details:






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

[2,3,4-Trihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]acetic acid [ACD/IUPAC Name]
[2,3,4-Trihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]essigsäure [German] [ACD/IUPAC Name]
Acide [2,3,4-trihydroxy-6-méthoxy-5-(3-méthyl-2-butén-1-yl)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2,3,4-trihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
[2,3,4-trihydroxy-6-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]acetic acid
2-[2,3,4-trihydroxy-6-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]acetic acid

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 201.0±22.2 °C
Index of Refraction: 1.606
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.83
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 211.9±3.0 cm3

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