ChemSpider 2D Image | [1-({[(2,2-Dimethyl-3,4-dihydro-2H-chromen-6-yl)acetyl]amino}methyl)cyclohexyl]acetic acid | C22H31NO4

[1-({[(2,2-Dimethyl-3,4-dihydro-2H-chromen-6-yl)acetyl]amino}methyl)cyclohexyl]acetic acid

  • Molecular FormulaC22H31NO4
  • Average mass373.486 Da
  • Monoisotopic mass373.225311 Da
  • ChemSpider ID30719303

More details:

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

[1-({[(2,2-Dimethyl-3,4-dihydro-2H-chromen-6-yl)acetyl]amino}methyl)cyclohexyl]acetic acid [ACD/IUPAC Name]
[1-({[(2,2-Dimethyl-3,4-dihydro-2H-chromen-6-yl)acetyl]amino}methyl)cyclohexyl]essigsäure [German] [ACD/IUPAC Name]
Acide [1-({[2-(2,2-diméthyl-3,4-dihydro-2H-chromén-6-yl)acétyl]amino}méthyl)cyclohexyl]acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-[[[2-(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)acetyl]amino]methyl]- [ACD/Index Name]
1574530-09-8 [RN]
2-(1-((2-(2,2-dimethylchroman-6-yl)acetamido)methyl)cyclohexyl)acetic acid
2-[1-[[[2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)acetyl]amino]methyl]cyclohexyl]acetic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 601.2±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.1±3.0 kJ/mol
    Flash Point: 317.4±28.2 °C
    Index of Refraction: 1.533
    Molar Refractivity: 103.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.11
    ACD/LogD (pH 5.5): 3.30
    ACD/BCF (pH 5.5): 118.81
    ACD/KOC (pH 5.5): 612.96
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 1.89
    ACD/KOC (pH 7.4): 9.74
    Polar Surface Area: 76 Å2
    Polarizability: 41.1±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 334.1±3.0 cm3

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