ChemSpider 2D Image | 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4,5-trimethoxybenzoic acid | C15H21NO7

2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4,5-trimethoxybenzoic acid

  • Molecular FormulaC15H21NO7
  • Average mass327.330 Da
  • Monoisotopic mass327.131805 Da
  • ChemSpider ID26051528

More details:






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

1185297-87-3 [RN]
2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4,5-trimethoxybenzoic acid
3,4,5-Trimethoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3,4,5-Trimethoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3,4,5-triméthoxy-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4,5-trimethoxy- [ACD/Index Name]
1260809-98-0 [RN]
2-((tert-butoxycarbonyl)amino)-3,4,5-trimethoxybenzoic acid
2-{[(tert-butoxy)carbonyl]amino}-3,4,5-trimethoxybenzoic acid
3,4,5-trimethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 403.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 197.6±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 3.55
ACD/KOC (pH 5.5): 29.00
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 103 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 263.0±3.0 cm3

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