ChemSpider 2D Image | 4-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoic acid | C19H12N2O7

4-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoic acid

  • Molecular FormulaC19H12N2O7
  • Average mass380.308 Da
  • Monoisotopic mass380.064453 Da
  • ChemSpider ID57573683

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylen)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(5Z)-5-(1,3-benzodioxol-5-ylméthylène)-2,4,6-trioxotétrahydro-1(2H)-pyrimidinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)tetrahydro-2,4,6-trioxo-1(2H)-pyrimidinyl]- [ACD/Index Name]
4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 15.85
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 78.4±3.0 dyne/cm
Molar Volume: 238.7±3.0 cm3

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