Found 3 results

Search term: BVWTXUYLKBHMOX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | METHYL 4-HYDROXY-3-(METHOXY-D3)BENZOATE | C9H7D3O4

METHYL 4-HYDROXY-3-(METHOXY-D3)BENZOATE

  • Molecular FormulaC9H7D3O4
  • Average mass185.192 Da
  • Monoisotopic mass185.076736 Da
  • ChemSpider ID34985106

  • Non-standard isotope - Non-standard isotope

More details:

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

1394230-40-0 [RN]
4-Hydroxy-3-[(2H3)méthyloxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3-(methyl-d3-oxy)-, methyl ester [ACD/Index Name]
METHYL 4-HYDROXY-3-(METHOXY-D3)BENZOATE
Methyl 4-hydroxy-3-[(2H3)methyloxy]benzoate [ACD/IUPAC Name]
Methyl-4-hydroxy-3-[(2H3)methyloxy]benzoat [German] [ACD/IUPAC Name]

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

549959381H [DBID]
UNII:549959381H [DBID]
UNII-549959381H [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 286.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 120.2±15.8 °C
Index of Refraction: 1.534
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.35
ACD/KOC (pH 5.5): 197.97
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.25
ACD/KOC (pH 7.4): 178.74
Polar Surface Area: 56 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 149.8±3.0 cm3

Click to predict properties on the Chemicalize site


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