ChemSpider 2D Image | 3-Formyl-5-(methoxycarbonyl)benzoic acid | C10H8O5

3-Formyl-5-(methoxycarbonyl)benzoic acid

  • Molecular FormulaC10H8O5
  • Average mass208.167 Da
  • Monoisotopic mass208.037170 Da
  • ChemSpider ID21513520

More details:

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

1,3-Benzenedicarboxylic acid, 5-formyl-, monomethyl ester [ACD/Index Name]
3-Formyl-5-(methoxycarbonyl)benzoesäure [German] [ACD/IUPAC Name]
3-Formyl-5-(methoxycarbonyl)benzoic acid [ACD/IUPAC Name]
Acide 3-formyl-5-(méthoxycarbonyl)benzoïque [French] [ACD/IUPAC Name]
3-(methoxycarbonyl)-5-formylbenzoic acid
3-formyl-5-(methoxycarbonyl)benzoicacid
5-Formyl-isophthalic acid monomethyl ester
914220-93-2 [RN]
MFCD09029573 [MDL number]

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: 1.4±0.1 g/cm3
    Boiling Point: 420.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 171.5±20.8 °C
    Index of Refraction: 1.598
    Molar Refractivity: 51.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): -0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.35
    ACD/LogD (pH 7.4): -1.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 58.6±3.0 dyne/cm
    Molar Volume: 151.5±3.0 cm3

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