ChemSpider 2D Image | (2S)-2-Hydroxy-3-butynoic acid | C4H4O3

(2S)-2-Hydroxy-3-butynoic acid

  • Molecular FormulaC4H4O3
  • Average mass100.073 Da
  • Monoisotopic mass100.016045 Da
  • ChemSpider ID32991028

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-3-butinsäure [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-butynoic acid [ACD/IUPAC Name]
3-Butynoic acid, 2-hydroxy-, (2S)- [ACD/Index Name]
Acide (2S)-2-hydroxy-3-butynoïque [French] [ACD/IUPAC Name]
(2S)-2-Hydroxybut-3-ynoic acid
81968-39-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 279.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.2±6.0 kJ/mol
Flash Point: 137.2±19.7 °C
Index of Refraction: 1.518
Molar Refractivity: 21.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 8.5±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 70.8±3.0 cm3

Click to predict properties on the Chemicalize site


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