Found 1 result

Search term: JXGBXHHEYIRNGA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1M887244YI | C11H9NO4

1M887244YI

  • Molecular FormulaC11H9NO4
  • Average mass219.193 Da
  • Monoisotopic mass219.053162 Da
  • ChemSpider ID32700231

More details:

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

1H-Inden-1-one, 3-hydroxy-5,6-dimethyl-2-nitro- [ACD/Index Name]
1M887244YI
3-Hydroxy-5,6-dimethyl-2-nitro-1H-inden-1-on [German] [ACD/IUPAC Name]
3-Hydroxy-5,6-dimethyl-2-nitro-1H-inden-1-one [ACD/IUPAC Name]
3-Hydroxy-5,6-diméthyl-2-nitro-1H-indén-1-one [French] [ACD/IUPAC Name]
49561-92-4 [RN]
nivimedone
UNII:1M887244YI
UNII-1M887244YI

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

4114 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 384.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 168.0±16.3 °C
Index of Refraction: 1.643
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 152.0±5.0 cm3

Click to predict properties on the Chemicalize site


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