Found 1 result

Search term: XIIAPOBAFRAUGJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (11bR)-3-Oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid | C15H11NO5S

(11bR)-3-Oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid

  • Molecular FormulaC15H11NO5S
  • Average mass317.316 Da
  • Monoisotopic mass317.035797 Da
  • ChemSpider ID25057856

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11bR)-3-Oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isochinolin-10-sulfonsäure [German] [ACD/IUPAC Name]
(11bR)-3-Oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid [ACD/IUPAC Name]
[1]Benzopyrano[4,3,2-de]isoquinoline-10-sulfonic acid, 1,2,3,11b-tetrahydro-3-oxo-, (11bR)- [ACD/Index Name]
Acide (11bR)-3-oxo-1,2,3,11b-tétrahydrochroméno[4,3,2-de]isoquinoléine-10-sulfonique [French] [ACD/IUPAC Name]
G9P

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 204.1±3.0 cm3

Click to predict properties on the Chemicalize site


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