ChemSpider 2D Image | 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl | C15H12O8

2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl

  • Molecular FormulaC15H12O8
  • Average mass320.251 Da
  • Monoisotopic mass320.053223 Da
  • ChemSpider ID30791373

More details:

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

[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,6,6'-trihydroxy-5'-methoxy- [ACD/Index Name]
2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
5,6,6'-Trihydroxy-5'-methoxy-3,3'-biphenyldicarbonsäure [German] [ACD/IUPAC Name]
5,6,6'-Trihydroxy-5'-methoxy-3,3'-biphenyldicarboxylic acid [ACD/IUPAC Name]
Acide 5,6,6'-trihydroxy-5'-méthoxy-3,3'-biphényldicarboxylique [French] [ACD/IUPAC Name]
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid
C18348
OH-DDVA
  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid that is 5,5',6,6'-tetrahydroxy[biphenyl]-3,3'dicarboxylic acid in which one of the hydroxy groups that is meta to a carboxy group has been converted into the corresponding methyl e ther. ChEBI CHEBI:81694
      A dicarboxylic acid that is 5,5',6,6'-tetrahydroxy[biphenyl]-3,3'dicarboxylic acid in which one of the hydroxy groups that is meta to a carboxy group has been converted to the correspondi; ng methyl e ther. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81694

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

Density: 1.6±0.1 g/cm3
Boiling Point: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 245.0±25.0 °C
Index of Refraction: 1.701
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 86.2±3.0 dyne/cm
Molar Volume: 199.1±3.0 cm3

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