Found 92 results

Search term: MF = 'C_{12}H_{12}O_{7}'
ChemSpider 2D Image | 2-[1,3-Benzodioxol-5-yl(hydroxy)methyl]succinic acid | C12H12O7

2-[1,3-Benzodioxol-5-yl(hydroxy)methyl]succinic acid

  • Molecular FormulaC12H12O7
  • Average mass268.220 Da
  • Monoisotopic mass268.058289 Da
  • ChemSpider ID57434326

More details:

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

2-(1,3-Benzodioxol-5-ylhydroxymethyl)butanedioic acid
2-[1,3-Benzodioxol-5-yl(hydroxy)methyl]bernsteinsäure [German] [ACD/IUPAC Name]
2-[1,3-Benzodioxol-5-yl(hydroxy)methyl]succinic acid [ACD/IUPAC Name]
62848-89-9 [RN]
Acide 2-[1,3-benzodioxol-5-yl(hydroxy)méthyl]succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(1,3-benzodioxol-5-ylhydroxymethyl)- [ACD/Index Name]
2-(Benzo[d][1,3]dioxol-5-yl(hydroxy)methyl)succinic acid
2-[(2H-1,3-Benzodioxol-5-yl)(hydroxy)methyl]butanedioic acid
BUTANEDIOIC ACID, (1,3-BENZODIOXOL-5-YLHYDROXYMETHYL)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 457.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 177.9±22.2 °C
Index of Refraction: 1.626
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 170.8±3.0 cm3

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