Found 2 results

Search term: NTONRRCTPDMZTP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(2S)-2-Hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl]acetic acid | C12H12O5

[(2S)-2-Hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl]acetic acid

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID59702520

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-2-Hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl]acetic acid [ACD/IUPAC Name]
[(2S)-2-Hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl]essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-hydroxy-2-methyl-4-oxo-, (2S)- [ACD/Index Name]
Acide [(2S)-2-hydroxy-2-méthyl-4-oxo-3,4-dihydro-2H-chromén-5-yl]acétique [French] [ACD/IUPAC Name]
E'AGN-PC-007PC5'

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

Density: 1.4±0.1 g/cm3
Boiling Point: 486.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 193.6±22.2 °C
Index of Refraction: 1.606
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 166.7±3.0 cm3

Click to predict properties on the Chemicalize site


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