Found 3767 results

Search term: MF = 'C_{12}H_{12}N_{4}O_{4}'
ChemSpider 2D Image | 5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid | C12H12N4O4

5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid

  • Molecular FormulaC12H12N4O4
  • Average mass276.248 Da
  • Monoisotopic mass276.085846 Da
  • ChemSpider ID21475777

More details:

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

2H-Tetrazole-2-butanoic acid, 5-(1,3-benzodioxol-5-yl)- [ACD/Index Name]
4-[5-(1,3-Benzodioxol-5-yl)-2H-tetrazol-2-yl]butanoic acid [ACD/IUPAC Name]
4-[5-(1,3-Benzodioxol-5-yl)-2H-tetrazol-2-yl]butansäure [German] [ACD/IUPAC Name]
5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid
924861-80-3 [RN]
Acide 4-[5-(1,3-benzodioxol-5-yl)-2H-tétrazol-2-yl]butanoïque [French] [ACD/IUPAC Name]
4-(5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-1,2,3,4-tetraazol-2-yl)butanoic acid
4-(5-Benzo[1,3]dioxol-5-yl-tetrazol-2-yl)-butyric acid
4-[5-(1,3-benzodioxol-5-yl)-2{H}-tetrazol-2-yl]butanoic acid
4-[5-(1,3-Benzodioxol-5-yl)-2H-tetraazol-2-yl]butanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 539.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.2±32.9 °C
Index of Refraction: 1.714
Molar Refractivity: 67.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.06
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 172.8±7.0 cm3

Click to predict properties on the Chemicalize site


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