ChemSpider 2D Image | (2S)-Amino(3,5-dihydroxy-4-methylphenyl)acetic acid | C9H11NO4

(2S)-Amino(3,5-dihydroxy-4-methylphenyl)acetic acid

  • Molecular FormulaC9H11NO4
  • Average mass197.188 Da
  • Monoisotopic mass197.068802 Da
  • ChemSpider ID57374709
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-Amino(3,5-dihydroxy-4-methylphenyl)acetic acid [ACD/IUPAC Name]
(2S)-Amino(3,5-dihydroxy-4-methylphenyl)essigsäure [German] [ACD/IUPAC Name]
(2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid
Acide (2S)-amino(3,5-dihydroxy-4-méthylphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-3,5-dihydroxy-4-methyl-, (αS)- [ACD/Index Name]
(S)-2-Amino-2-(3,5-dihydroxy-4-methylphenyl)acetic acid
76249-99-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 461.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 232.8±25.4 °C
Index of Refraction: 1.658
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 134.4±3.0 cm3

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