ChemSpider 2D Image | 2,2'-{2,5-Dihydroxy-1-[(methoxycarbonyl)amino]-1H-pyrrole-3,4-diyl}diacetic acid | C10H12N2O8

2,2'-{2,5-Dihydroxy-1-[(methoxycarbonyl)amino]-1H-pyrrole-3,4-diyl}diacetic acid

  • Molecular FormulaC10H12N2O8
  • Average mass288.211 Da
  • Monoisotopic mass288.059357 Da
  • ChemSpider ID85731692

More details:

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

1H-Pyrrole-3,4-diacetic acid, 2,5-dihydroxy-1-[(methoxycarbonyl)amino]- [ACD/Index Name]
2,2'-{2,5-Dihydroxy-1-[(methoxycarbonyl)amino]-1H-pyrrol-3,4-diyl}diessigsäure [German] [ACD/IUPAC Name]
2,2'-{2,5-Dihydroxy-1-[(methoxycarbonyl)amino]-1H-pyrrole-3,4-diyl}diacetic acid [ACD/IUPAC Name]
Acide 2,2'-{2,5-dihydroxy-1-[(méthoxycarbonyl)amino]-1H-pyrrole-3,4-diyl}diacétique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 60.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -5.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 74.2±7.0 dyne/cm
Molar Volume: 167.3±7.0 cm3

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