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Search term: CECDPVOEINSAQG-SSDOTTSWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Dihydroaeruginoic acid | C10H9NO3S

Dihydroaeruginoic acid

  • Molecular FormulaC10H9NO3S
  • Average mass223.248 Da
  • Monoisotopic mass223.030319 Da
  • ChemSpider ID23110944

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
143209-04-5 [RN]
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(2-hydroxyphenyl)-, (4S)- [ACD/Index Name]
Acide (4S)-2-(2-hydroxyphényl)-4,5-dihydro-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
Dihydroaeruginoic acid
(+)-(S)-Dihydroaeruginoic acid
(4S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-thiazolecarboxylic acid
(S)-2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid
(S)-2-(2-Hydroxy-phenyl)-4,5-dihydro-thiazole-4-carboxylic acid
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 466.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 235.8±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 147.6±7.0 cm3

Click to predict properties on the Chemicalize site


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