Found 1 result

Search term: 23330913 (Found by CSID)
ChemSpider 2D Image | (6aS,11bR)-2,4-Dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-6,6a,7,11b-tetrahydroindeno[2,1-c]chromene-11-carbaldehyde | C21H20Cl2O5

(6aS,11bR)-2,4-Dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-6,6a,7,11b-tetrahydroindeno[2,1-c]chromene-11-carbaldehyde

  • Molecular FormulaC21H20Cl2O5
  • Average mass423.286 Da
  • Monoisotopic mass422.068787 Da
  • ChemSpider ID23330913

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aS,11bR)-2,4-Dichlor-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-6,6a,7,11b-tetrahydroindeno[2,1-c]chromen-11-carbaldehyd [German] [ACD/IUPAC Name]
(6aS,11bR)-2,4-Dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-6,6a,7,11b-tetrahydroindeno[2,1-c]chromene-11-carbaldehyde [ACD/IUPAC Name]
(6aS,11bR)-2,4-Dichloro-8,10-dihydroxy-1-méthoxy-3,6,6-triméthyl-6,6a,7,11b-tétrahydroindéno[2,1-c]chromène-11-carbaldéhyde [French] [ACD/IUPAC Name]
Benz[b]indeno[1,2-d]pyran-11-carboxaldehyde, 2,4-dichloro-6,6a,7,11b-tetrahydro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-, (6aS,11bR)- [ACD/Index Name]
(±)-pestalachloride C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470095/
Pestalachloride C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29811.04
ACD/KOC (pH 5.5): 55357.62
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 17030.74
ACD/KOC (pH 7.4): 31625.24
Polar Surface Area: 76 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 302.5±3.0 cm3

Click to predict properties on the Chemicalize site


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