ChemSpider 2D Image | (E)-3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid | C9H10O4

(E)-3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid

  • Molecular FormulaC9H10O4
  • Average mass182.173 Da
  • Monoisotopic mass182.057907 Da
  • ChemSpider ID26332574

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-3-[(5R,6S)-5,6-Dihydroxy-1,3-cyclohexadien-1-yl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[(5R,6S)-5,6-Dihydroxy-1,3-cyclohexadien-1-yl]acrylsäure [German] [ACD/IUPAC Name]
(E)-3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid
2-Propenoic acid, 3-[(5R,6S)-5,6-dihydroxy-1,3-cyclohexadien-1-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[(5R,6S)-5,6-dihydroxy-1,3-cyclohexadién-1-yl]acrylique [French] [ACD/IUPAC Name]
(2E)-3-(5,6-dihydroxycyclohexa-1,3-dien-1-yl)prop-2-enoic acid
(2E)-3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]prop-2-enoic acid
3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)prop-2-enoic acid
cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 449.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.6±6.0 kJ/mol
Flash Point: 239.5±25.2 °C
Index of Refraction: 1.756
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 107.7±3.0 dyne/cm
Molar Volume: 115.5±3.0 cm3

Click to predict properties on the Chemicalize site


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