ChemSpider 2D Image | 3-Amino-3-(3-chloro-4-hydroxy-5-methoxyphenyl)propanoic acid | C10H12ClNO4

3-Amino-3-(3-chloro-4-hydroxy-5-methoxyphenyl)propanoic acid

  • Molecular FormulaC10H12ClNO4
  • Average mass245.660 Da
  • Monoisotopic mass245.045486 Da
  • ChemSpider ID26264476

More details:

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

3-Amino-3-(3-chlor-4-hydroxy-5-methoxyphenyl)propansäure [German] [ACD/IUPAC Name]
3-Amino-3-(3-chloro-4-hydroxy-5-methoxyphenyl)propanoic acid [ACD/IUPAC Name]
3-AMINO-3-(3-CHLORO-4-HYDROXY-5-METHOXY-PHENYL)-PROPIONIC ACID
682804-55-3 [RN]
Acide 3-amino-3-(3-chloro-4-hydroxy-5-méthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-3-chloro-4-hydroxy-5-methoxy- [ACD/Index Name]
3-AMINO-3-(3-CHLORO-4-HYDROXY-5-METHOXY-PHENYL)-PROPIONICACID
MFCD03002536

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

Density: 1.4±0.1 g/cm3
Boiling Point: 402.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 197.2±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 172.2±3.0 cm3

Click to predict properties on the Chemicalize site


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