ChemSpider 2D Image | CANNABIGEROLIC ACID MONOMETHYL ETHER | C23H34O4

CANNABIGEROLIC ACID MONOMETHYL ETHER

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID32698797
  • Double-bond stereo - Double-bond stereo


More details:






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

29624-08-6 [RN]
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-pentylbenzoesäure [German] [ACD/IUPAC Name]
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-pentylbenzoic acid [ACD/IUPAC Name]
Acide 3-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2-hydroxy-4-méthoxy-6-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-pentyl- [ACD/Index Name]
CANNABIGEROLIC ACID MONOMETHYL ETHER
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-pentylbenzoic acid
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-pentyl-benzoic acid
6-amyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-benzoic acid

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

9DYP1R3I9V [DBID]
UNII:9DYP1R3I9V [DBID]
UNII-9DYP1R3I9V [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 513.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 167.9±23.6 °C
Index of Refraction: 1.535
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 1499.24
ACD/KOC (pH 5.5): 1050.20
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 668.58
ACD/KOC (pH 7.4): 468.33
Polar Surface Area: 67 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

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