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Search term: OCDLIZZAIDPSCK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(Allyloxy)-3-(methoxycarbonyl)benzoic acid | C12H12O5

4-(Allyloxy)-3-(methoxycarbonyl)benzoic acid

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID35786007

More details:

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

1,3-Benzenedicarboxylic acid, 4-(2-propen-1-yloxy)-, 3-methyl ester [ACD/Index Name]
4-(Allyloxy)-3-(methoxycarbonyl)benzoesäure [German] [ACD/IUPAC Name]
4-(Allyloxy)-3-(methoxycarbonyl)benzoic acid [ACD/IUPAC Name]
Acide 4-(allyloxy)-3-(méthoxycarbonyl)benzoïque [French] [ACD/IUPAC Name]
1,3-BENZENEDICARBOXYLIC ACID, 4-(2-PROPENYLOXY)-, 3-METHYL ESTER
90183-33-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 154.4±19.4 °C
Index of Refraction: 1.544
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 20.25
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 192.0±3.0 cm3

Click to predict properties on the Chemicalize site


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