ChemSpider 2D Image | [1,3]Oxathiolo[5,4-c]pyridin-6-ylmethanol | C7H7NO2S

[1,3]Oxathiolo[5,4-c]pyridin-6-ylmethanol

  • Molecular FormulaC7H7NO2S
  • Average mass169.201 Da
  • Monoisotopic mass169.019745 Da
  • ChemSpider ID28473995

More details:

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

[1,3]Oxathiolo[5,4-c]pyridin-6-ylmethanol [German] [ACD/IUPAC Name]
[1,3]Oxathiolo[5,4-c]pyridin-6-ylmethanol [ACD/IUPAC Name]
[1,3]Oxathiolo[5,4-c]pyridin-6-ylméthanol [French] [ACD/IUPAC Name]
[1,3]Oxathiolo[5,4-c]pyridine-6-methanol [ACD/Index Name]
872714-71-1 [RN]
(2H-[1,3]Oxathiolo[5,4-c]pyridin-6-yl)methanol
MFCD21603646 [MDL number]
Oxathiolopyridin-6-ylmethanol

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: 346.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 163.2±27.9 °C
Index of Refraction: 1.673
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.10
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.97
Polar Surface Area: 68 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 74.7±3.0 dyne/cm
Molar Volume: 116.1±3.0 cm3

Click to predict properties on the Chemicalize site


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