ChemSpider 2D Image | neoabietic acid | C20H30O2

neoabietic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID28295869

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(9ξ)-Abieta-8(14),13(15)-dien-18-oic acid [ACD/IUPAC Name]
(9ξ)-Abieta-8(14),13(15)-dien-18-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, (1R,4aR,10aR)- [ACD/Index Name]
471-77-2 [RN]
Acide (9ξ)-abiéta-8(14),13(15)-dién-18-oïque [French] [ACD/IUPAC Name]
neoabietic acid
NEOABIETICACID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 433.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±6.0 kJ/mol
Flash Point: 206.0±23.1 °C
Index of Refraction: 1.542
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 5551.98
ACD/KOC (pH 5.5): 9387.12
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 87.75
ACD/KOC (pH 7.4): 148.37
Polar Surface Area: 37 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 283.8±5.0 cm3

Click to predict properties on the Chemicalize site


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