ChemSpider 2D Image | (9R)-3,6,6,9-Tetramethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl acetate | C19H24O3

(9R)-3,6,6,9-Tetramethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl acetate

  • Molecular FormulaC19H24O3
  • Average mass300.392 Da
  • Monoisotopic mass300.172546 Da
  • ChemSpider ID34993885

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-3,6,6,9-Tetramethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl acetate [ACD/IUPAC Name]
(9R)-3,6,6,9-Tetramethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl-acetat [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 7,8,9,10-tetrahydro-3,6,6,9-tetramethyl-, acetate, (9R)- [ACD/Index Name]
Acétate de (9R)-3,6,6,9-tétraméthyl-7,8,9,10-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
19825-63-9 [RN]
Pirnabine [USAN] [Wiki]
UNII-S3FHL03F60

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

Density: 1.1±0.1 g/cm3
Boiling Point: 419.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 178.2±23.3 °C
Index of Refraction: 1.555
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10224.01
ACD/KOC (pH 5.5): 25803.34
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10224.01
ACD/KOC (pH 7.4): 25803.34
Polar Surface Area: 36 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 267.4±5.0 cm3

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