Found 2 results

Search term: OWWULYVDNVCJLP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Brassicanal C | C10H9NO3S

Brassicanal C

  • Molecular FormulaC10H9NO3S
  • Average mass223.248 Da
  • Monoisotopic mass223.030319 Da
  • ChemSpider ID62768900

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

137761-23-0 [RN]
1H-Indole-2-sulfinic acid, 3-formyl-, methyl ester [ACD/Index Name]
3-Formyl-1H-indole-2-sulfinate de méthyle [French] [ACD/IUPAC Name]
Brassicanal C
Methyl 3-formyl-1H-indole-2-sulfinate [ACD/IUPAC Name]
Methyl-3-formyl-1H-indol-2-sulfinat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.8±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 77.99
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 77.99
Polar Surface Area: 78 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 80.9±5.0 dyne/cm
Molar Volume: 150.2±5.0 cm3

Click to predict properties on the Chemicalize site


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