ChemSpider 2D Image | 2-[(3Z)-4,8-Dimethyl-3,7-nonadien-1-yl]-8-hydroxy-3-methylene-6-chromanecarboxylic acid | C22H28O4

2-[(3Z)-4,8-Dimethyl-3,7-nonadien-1-yl]-8-hydroxy-3-methylene-6-chromanecarboxylic acid

  • Molecular FormulaC22H28O4
  • Average mass356.455 Da
  • Monoisotopic mass356.198761 Da
  • ChemSpider ID35014986

  • Double-bond stereo - Double-bond stereo

More details:

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

(+)-2-[(3Z)-4,8-Dimethyl-3,7-nonadien-1-yl]-3,4-dihydro-8-hydroxy-3-methylene-2H-1-benzopyran-6-carboxylic acid
110979-03-8 [RN]
2-[(3Z)-4,8-Dimethyl-3,7-nonadien-1-yl]-8-hydroxy-3-methylen-6-chromancarbonsäure [German] [ACD/IUPAC Name]
2-[(3Z)-4,8-Dimethyl-3,7-nonadien-1-yl]-8-hydroxy-3-methylene-6-chromanecarboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-6-carboxylic acid, 2-[(3Z)-4,8-dimethyl-3,7-nonadien-1-yl]-3,4-dihydro-8-hydroxy-3-methylene- [ACD/Index Name]
Acide 2-[(3Z)-4,8-diméthyl-3,7-nonadién-1-yl]-8-hydroxy-3-méthylène-6-chromanecarboxylique [French] [ACD/IUPAC Name]
2-(4,8-Dimethyl-3,7-nonadienyl)-3,4-dihydro-8-hydroxy-3-methylene-2H-1-benzopyran-6-carboxylic acid, 9CI
2-[(3Z)-4,8-dimethylnona-3,7-dien-1-yl]-8-hydroxy-3-methylidene-2,4-dihydro-1-benzopyran-6-carboxylic acid
2-[(3Z)-4,8-dimethylnona-3,7-dien-1-yl]-8-hydroxy-3-methylidene-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
Piperochromanoic acid

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 176.7±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 2903.60
ACD/KOC (pH 5.5): 4473.69
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 78.50
ACD/KOC (pH 7.4): 120.94
Polar Surface Area: 67 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 311.5±5.0 cm3

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