ChemSpider 2D Image | 3-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]propanoic acid | C16H22O4

3-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]propanoic acid

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID21467599

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1-Benzopyran-2-propanoic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (2S)- [ACD/Index Name]
3-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]propanoic acid [ACD/IUPAC Name]
3-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2S)-6-hydroxy-2,5,7,8-tétraméthyl-3,4-dihydro-2H-chromén-2-yl]propanoïque [French] [ACD/IUPAC Name]
(S)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-propanoic acid
?-CEHC
3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-propanoic acid
5-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-propanoic acid
507441-93-2 [RN]
CEHC
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 474.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 174.4±22.2 °C
Index of Refraction: 1.546
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 16.23
ACD/KOC (pH 5.5): 135.24
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 67 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 241.7±3.0 cm3

Click to predict properties on the Chemicalize site


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