ChemSpider 2D Image | 3-[(1E,7E)-8-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid | C15H14N4O6

3-[(1E,7E)-8-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid

  • Molecular FormulaC15H14N4O6
  • Average mass346.295 Da
  • Monoisotopic mass346.091339 Da
  • ChemSpider ID24604853

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(1E,7E)-8-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3-[(1E,7E)-8-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid [ACD/IUPAC Name]
3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
Acide 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)-3,6-dioxa-2,7-diazaocta-1,7-dién-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(1E,7E)-8-(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]- [ACD/Index Name]
3-[(1E,7E)-8-(2,6-dioxo-1,3-dihydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
6-[[(3-Carboxy-benzylidene)-aminooxy]ethoxyimino]methyl]uracil
6-[[(3-Carboxy-benzylidene)-aminooxy]ethoxyimino]methyl]uracil, 14
FCF

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 85.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.94
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 238.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement