ChemSpider 2D Image | [1,3]Oxathiolo[5,4-c]pyridine-6-carbaldehyde | C7H5NO2S

[1,3]Oxathiolo[5,4-c]pyridine-6-carbaldehyde

  • Molecular FormulaC7H5NO2S
  • Average mass167.185 Da
  • Monoisotopic mass167.004105 Da
  • ChemSpider ID27531148

More details:

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

[1,3]Oxathiolo[5,4-c]pyridin-6-carbaldehyd [German] [ACD/IUPAC Name]
[1,3]Oxathiolo[5,4-c]pyridine-6-carbaldehyde [ACD/IUPAC Name]
[1,3]Oxathiolo[5,4-c]pyridine-6-carbaldéhyde [French] [ACD/IUPAC Name]
[1,3]Oxathiolo[5,4-c]pyridine-6-carboxaldehyde [ACD/Index Name]
872714-69-7 [RN]
2H-[1,3]Oxathiolo[5,4-c]pyridine-6-carbaldehyde
MFCD20528181 [MDL number]
Oxathiolopyridine-6-carbaldehyde

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: 1.5±0.1 g/cm3
Boiling Point: 316.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.8±3.0 kJ/mol
Flash Point: 145.2±27.9 °C
Index of Refraction: 1.695
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.20
ACD/KOC (pH 5.5): 113.21
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 113.54
Polar Surface Area: 64 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 113.9±3.0 cm3

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