ChemSpider 2D Image | 2-[2,6-Dihydroxy-4-(methoxycarbonyl)benzoyl]-3-hydroxybenzoic acid | C16H12O8

2-[2,6-Dihydroxy-4-(methoxycarbonyl)benzoyl]-3-hydroxybenzoic acid

  • Molecular FormulaC16H12O8
  • Average mass332.262 Da
  • Monoisotopic mass332.053223 Da
  • ChemSpider ID22369928

More details:

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

2-[2,6-Dihydroxy-4-(methoxycarbonyl)benzoyl]-3-hydroxybenzoesäure [German] [ACD/IUPAC Name]
2-[2,6-Dihydroxy-4-(methoxycarbonyl)benzoyl]-3-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 2-[2,6-dihydroxy-4-(méthoxycarbonyl)benzoyl]-3-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-methyl ester [ACD/Index Name]
170032-59-4 [RN]
2-(2,6-Dihydroxy-4-methoxycarbonylbenzoyl)-3-hydroxybenzoic acid
Benzophenone fragment, 2
BRD-K81455188-001-01-5
Compound NP-011996

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

Density: 1.6±0.1 g/cm3
Boiling Point: 603.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 226.5±25.0 °C
Index of Refraction: 1.678
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 7.70
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 80.6±3.0 dyne/cm
Molar Volume: 213.3±3.0 cm3

Click to predict properties on the Chemicalize site


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