ChemSpider 2D Image | (3R)-3-Hydroxy-3-(3-hydroxyphenyl)propanoic acid | C9H10O4

(3R)-3-Hydroxy-3-(3-hydroxyphenyl)propanoic acid

  • Molecular FormulaC9H10O4
  • Average mass182.173 Da
  • Monoisotopic mass182.057907 Da
  • ChemSpider ID65336366

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxy-3-(3-hydroxyphenyl)propanoic acid [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-(3-hydroxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-hydroxy-3-(3-hydroxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β,3-dihydroxy-, (βR)- [ACD/Index Name]
1379439-68-5 [RN]
MFCD20651762

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

Density: 1.4±0.1 g/cm3
Boiling Point: 421.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 223.0±22.4 °C
Index of Refraction: 1.615
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 130.1±3.0 cm3

Click to predict properties on the Chemicalize site


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