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Search term: 74851719 (Found by CSID)
ChemSpider 2D Image | [2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid | C13H16O5

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

  • Molecular FormulaC13H16O5
  • Average mass252.263 Da
  • Monoisotopic mass252.099777 Da
  • ChemSpider ID74851719

More details:

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

[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid [ACD/IUPAC Name]
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]essigsäure [German] [ACD/IUPAC Name]
Acide [2,4,6-trihydroxy-3-(3-méthyl-2-butén-1-yl)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
2-[2,4,6-trihydroxy-3-(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: 466.3±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 250.0±16.6 °C
Index of Refraction: 1.624
Molar Refractivity: 66.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.50
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 187.9±3.0 cm3

Click to predict properties on the Chemicalize site


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