ChemSpider 2D Image | Hydroxy(5-methoxy-2-oxo-1,3-benzoxathiol-6-yl)acetic acid | C10H8O6S

Hydroxy(5-methoxy-2-oxo-1,3-benzoxathiol-6-yl)acetic acid

  • Molecular FormulaC10H8O6S
  • Average mass256.232 Da
  • Monoisotopic mass256.004150 Da
  • ChemSpider ID76406754

More details:

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

1,3-Benzoxathiole-6-acetic acid, α-hydroxy-5-methoxy-2-oxo- [ACD/Index Name]
Acide hydroxy(5-méthoxy-2-oxo-1,3-benzoxathiol-6-yl)acétique [French] [ACD/IUPAC Name]
Hydroxy(5-methoxy-2-oxo-1,3-benzoxathiol-6-yl)acetic acid [ACD/IUPAC Name]
Hydroxy(5-methoxy-2-oxo-1,3-benzoxathiol-6-yl)essigsäure [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 542.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.6±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 155.2±3.0 cm3

Click to predict properties on the Chemicalize site


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