ChemSpider 2D Image | [3-(Nitromethyl)-3-oxetanyl]acetic acid | C6H9NO5

[3-(Nitromethyl)-3-oxetanyl]acetic acid

  • Molecular FormulaC6H9NO5
  • Average mass175.139 Da
  • Monoisotopic mass175.048065 Da
  • ChemSpider ID23499684

More details:

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

[3-(Nitromethyl)-3-oxetanyl]acetic acid [ACD/IUPAC Name]
[3-(Nitromethyl)-3-oxetanyl]essigsäure [German] [ACD/IUPAC Name]
[3-(Nitromethyl)oxetan-3-yl]acetic acid
3-Oxetaneacetic acid, 3-(nitromethyl)- [ACD/Index Name]
Acide [3-(nitrométhyl)-3-oxétanyl]acétique [French] [ACD/IUPAC Name]
1207174-88-6 [RN]
2-(3-(Nitromethyl)oxetan-3-yl)acetic acid
2-(3-(Nitromethyl)oxetan-3-yl)aceticacid
MFCD14586425

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 390.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.2±6.0 kJ/mol
Flash Point: 189.7±18.2 °C
Index of Refraction: 1.496
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 126.5±3.0 cm3

Click to predict properties on the Chemicalize site


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