ChemSpider 2D Image | 5,5'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)diisophthalic acid | C30H14N2O12

5,5'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)diisophthalic acid

  • Molecular FormulaC30H14N2O12
  • Average mass594.438 Da
  • Monoisotopic mass594.054688 Da
  • ChemSpider ID2110248

More details:

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

1,3-Benzenedicarboxylic acid, 5,5'-(1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis- [ACD/Index Name]
5,5'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2,7-diyl)diisophthalsäure [German] [ACD/IUPAC Name]
5,5'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)diisophthalic acid [ACD/IUPAC Name]
Acide 5,5'-(1,3,6,8-tétraoxo-1,3,6,8-tétrahydrobenzo[lmn][3,8]phénanthroline-2,7-diyl)diisophtalique [French] [ACD/IUPAC Name]
350024-36-1 [RN]
5-(7-(3,5-dicarboxyphenyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl)isophthalic acid
5,5'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dibenzene-1,3-dicarboxylic acid
5,5'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn]-3,8-phenanthroline-2,7-diyl)diisophthalic acid
5,5'-(1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7(1H,3H,6H,8H)-diyl)diisophthalic acid
5,5'-(1,3,6,8-Tetraoxobenzo[lmn][3,8]phenanthroline-2,7(1H,3H,6H,8H)-diyl)diisophthalicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A0380/0017447 [DBID]
AG-690/08357030 [DBID]
BAS 00224713 [DBID]
CBDivE_008157 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 1102.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 169.7±3.0 kJ/mol
    Flash Point: 620.4±34.3 °C
    Index of Refraction: 1.824
    Molar Refractivity: 143.5±0.3 cm3
    #H bond acceptors: 14
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): -2.97
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 224 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 111.7±3.0 dyne/cm
    Molar Volume: 328.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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