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Search term: SLMBURGYPGSXJL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(3,4-Dimethoxy-2-nitrophenyl)ethanone | C10H11NO5

1-(3,4-Dimethoxy-2-nitrophenyl)ethanone

  • Molecular FormulaC10H11NO5
  • Average mass225.198 Da
  • Monoisotopic mass225.063721 Da
  • ChemSpider ID24748588

More details:

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

1-(3,4-dimethoxy-2-nitrophenyl)ethan-1-one
1-(3,4-Dimethoxy-2-nitrophenyl)ethanon [German] [ACD/IUPAC Name]
1-(3,4-Dimethoxy-2-nitrophenyl)ethanone [ACD/IUPAC Name]
1-(3,4-Diméthoxy-2-nitrophényl)éthanone [French] [ACD/IUPAC Name]
857565-71-0 [RN]
Ethanone, 1-(3,4-dimethoxy-2-nitrophenyl)- [ACD/Index Name]
[857565-71-0] [RN]
3,4-Dimethoxy-2-nitroacetophenone
BS-17737
MFCD21090421 [MDL number]

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

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 183.6±28.5 °C
Index of Refraction: 1.534
Molar Refractivity: 56.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.57
ACD/KOC (pH 5.5): 162.01
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.57
ACD/KOC (pH 7.4): 162.01
Polar Surface Area: 81 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 180.8±3.0 cm3

Click to predict properties on the Chemicalize site


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