Found 22 results

Search term: MF = 'C_{9}H_{7}N_{3}O_{7}'
ChemSpider 2D Image | 2,5-Dihydroxy-1-[4-(methoxycarbonyl)-1,2,5-oxadiazol-3-yl]-1H-pyrrole-3-carboxylic acid | C9H7N3O7

2,5-Dihydroxy-1-[4-(methoxycarbonyl)-1,2,5-oxadiazol-3-yl]-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC9H7N3O7
  • Average mass269.168 Da
  • Monoisotopic mass269.028412 Da
  • ChemSpider ID94577337

More details:

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

1,2,5-Oxadiazole-3-carboxylic acid, 4-(3-carboxy-2,5-dihydroxy-1H-pyrrol-1-yl)-, 3-methyl ester [ACD/Index Name]
2,5-Dihydroxy-1-[4-(methoxycarbonyl)-1,2,5-oxadiazol-3-yl]-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
2,5-Dihydroxy-1-[4-(methoxycarbonyl)-1,2,5-oxadiazol-3-yl]-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
Acide 2,5-dihydroxy-1-[4-(méthoxycarbonyl)-1,2,5-oxadiazol-3-yl]-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 603.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.8±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 55.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.12
ACD/KOC (pH 5.5): 44.14
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 139.3±7.0 cm3

Click to predict properties on the Chemicalize site


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