ChemSpider 2D Image | 3,4-Dihydroxy-5-[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoic acid | C22H30O4

3,4-Dihydroxy-5-[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoic acid

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID30777494

  • Double-bond stereo - Double-bond stereo

More details:

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

110979-04-9 [RN]
3,4-Dihydroxy-5-[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3,4-Dihydroxy-5-[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 3,4-dihydroxy-5-[(2E,6Z)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-dihydroxy-5-[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]- [ACD/Index Name]
Benzoic acid, 3,4-dihydroxy-5-[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-
3,4-Dihydroxy-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid, 9CI
3,4-dihydroxy-5-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzoic acid
Piperoic 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: 556.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 304.6±26.6 °C
Index of Refraction: 1.566
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3239.74
ACD/KOC (pH 5.5): 4909.16
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 84.21
ACD/KOC (pH 7.4): 127.61
Polar Surface Area: 78 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 326.5±3.0 cm3

Click to predict properties on the Chemicalize site


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