ChemSpider 2D Image | 5-({[3-(Carboxymethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoic acid | C18H14O8

5-({[3-(Carboxymethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoic acid

  • Molecular FormulaC18H14O8
  • Average mass358.299 Da
  • Monoisotopic mass358.068878 Da
  • ChemSpider ID24601458

More details:

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

2H-1-Benzopyran-3-acetic acid, 7-[(5-carboxy-2-furanyl)methoxy]-4-methyl-2-oxo- [ACD/Index Name]
5-({[3-(Carboxymethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoesäure [German] [ACD/IUPAC Name]
5-({[3-(Carboxymethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoic acid [ACD/IUPAC Name]
Acide 5-({[3-(carboxyméthyl)-4-méthyl-2-oxo-2H-chromén-7-yl]oxy}méthyl)-2-furoïque [French] [ACD/IUPAC Name]
1190298-73-7 [RN]
5-({[3-(carboxymethyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)furan-2-carboxylic acid
5-[[3-(carboxymethyl)-4-methyl-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
AGN-PC-07CTHN
AKOS016377035
MCULE-1730253591
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 655.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±3.0 kJ/mol
    Flash Point: 350.2±31.5 °C
    Index of Refraction: 1.616
    Molar Refractivity: 85.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): -1.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 123 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 62.1±3.0 dyne/cm
    Molar Volume: 245.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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