ChemSpider 2D Image | [2-Hydroxy-5-methyl-3-(nitromethyl)benzyl]phosphonic acid | C9H12NO6P

[2-Hydroxy-5-methyl-3-(nitromethyl)benzyl]phosphonic acid

  • Molecular FormulaC9H12NO6P
  • Average mass261.168 Da
  • Monoisotopic mass261.040222 Da
  • ChemSpider ID28584621

More details:

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

[2-Hydroxy-5-methyl-3-(nitromethyl)benzyl]phosphonic acid [ACD/IUPAC Name]
[2-Hydroxy-5-methyl-3-(nitromethyl)benzyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [2-hydroxy-5-méthyl-3-(nitrométhyl)benzyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[2-hydroxy-5-methyl-3-(nitromethyl)phenyl]methyl]- [ACD/Index Name]
{[2-Hydroxy-5-methyl-3-(nitromethyl)phenyl]methyl}phosphonic acid
917887-00-4 [RN]
PHOSPHONIC ACID, P-[[2-HYDROXY-5-METHYL-3-(NITROMETHYL)PHENYL]METHYL]-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 534.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.1±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 168.7±3.0 cm3

Click to predict properties on the Chemicalize site


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