ChemSpider 2D Image | 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid | C10H12O6

2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID30791262

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-2-butendisäure [German] [ACD/IUPAC Name]
(2Z)-2-Hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-2-butenedioic acid [ACD/IUPAC Name]
2-Butenedioic acid, 2-hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-, (2Z)- [ACD/Index Name]
2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid
Acide (2Z)-2-hydroxy-3-[(1Z)-4-méthyl-3-oxo-1-pentén-1-yl]-2-butènedioïque [French] [ACD/IUPAC Name]
(2Z)-2-hydroxy-3-[(1Z)-4-methyl-3-oxopent-1-en-1-yl]but-2-enedioic acid
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate

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

C06581 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 424.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 224.5±25.2 °C
Index of Refraction: 1.555
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -4.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 164.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement