ChemSpider 2D Image | {2-[(3,4-Dihydroxybenzoyl)oxy]-4,6-dihydroxyphenyl}acetic acid | C15H12O8

{2-[(3,4-Dihydroxybenzoyl)oxy]-4,6-dihydroxyphenyl}acetic acid

  • Molecular FormulaC15H12O8
  • Average mass320.251 Da
  • Monoisotopic mass320.053223 Da
  • ChemSpider ID24719091

More details:

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

{2-[(3,4-Dihydroxybenzoyl)oxy]-4,6-dihydroxyphenyl}acetic acid [ACD/IUPAC Name]
{2-[(3,4-Dihydroxybenzoyl)oxy]-4,6-dihydroxyphenyl}essigsäure [German] [ACD/IUPAC Name]
Acide {2-[(3,4-dihydroxybenzoyl)oxy]-4,6-dihydroxyphényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[(3,4-dihydroxybenzoyl)oxy]-4,6-dihydroxy- [ACD/Index Name]
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxyphenylacetic acid
2-[2-(3,4-dihydroxybenzoyl)oxy-4,6-dihydroxyphenyl]acetic acid
Compound NP-001096
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521876/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 737.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 279.6±26.4 °C
Index of Refraction: 1.719
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.88
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 93.4±3.0 dyne/cm
Molar Volume: 194.0±3.0 cm3

Click to predict properties on the Chemicalize site


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