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Inherent Properties, Identifiers and References
ChemSpider ID: 13850772
Empirical Formula: C8H8O3
Molecular Weight: 152.1473
Nominal Mass: 152 Da
Average Mass: 152.1473 Da
Monoisotopic Mass: 152.047344 Da
Systematic Name: 2-(4-hydroxyphenyl)acetic acid
SMILES: Oc1ccc(CC(O)=O)cc1
InChI:
InChIKey: -
Std. InChI:
Std. InChIKey: -
(Details...) Predicted Properties
LogP: ACD/LogP: 0.77
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 5.18 ACD/KOC (pH 7.4): 1
#H bond acceptors: 3 #H bond donors: 2
#Freely Rotating Bonds: 3 Polar Surface Area: 57.53 Å2
Index of Refraction: 1.596 Molar Refractivity: 39.24 cm3
Molar Volume: 115.3 cm3 Polarizability: 15.55 10-24cm3
Surface Tension: 59.8 dyne/cm Density: 1.319 g/cm3
Flash Point: 177.6 °C Enthalpy of Vaporization: 62.35 kJ/mol
Boiling Point: 346.6 °C at 760 mmHg Vapour Pressure: 2.15E-05 mmHg at 25°C