Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid |
EINECS | N/A |
CAS No. | 834-50-4 | Density | 1.265g/cm3 |
PSA | 63.60000 | LogP | 1.97470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H18O4 | Boiling Point | 336.8 °C at 760 mmHg |
Molecular Weight | 226.273 | Flash Point | 125.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monoethyl ester;4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid; |
Article Data | 2 |
Molecular Structure of 1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid (CAS NO.834-50-4):
IUPAC Name: 1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid
Empirical Formula: C12H18O4
Molecular Weight: 226.2689
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.543
Molar Refractivity: 56.43 cm3
Molar Volume: 178.8 cm3
Surface Tension: 57.2 dyne/cm
Density: 1.265 g/cm3
Flash Point: 125.2 °C
Enthalpy of Vaporization: 63.74 kJ/mol
Boiling Point: 336.8 °C at 760 mmHg
Vapour Pressure: 2.06E-05 mmHg at 25°C
SMILES: O=C(OCC)C12CCC(C(=O)O)(CC1)CC2
InChI: InChI=1/C12H18O4/c1-2-16-10(15)12-6-3-11(4-7-12,5-8-12)9(13)14/h2-8H2,1H3,(H,13,14)
1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid , with CAS number of 834-50-4, can be called 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid ; bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monoethyl ester .