Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate supplier

Name
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
EINECS
CAS No. 1459-96-7
Article Data21
CAS DataBase
Density 1.206 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈O₄
Boiling Point 273.6 °C at 760 mmHg
Molecular Weight 226.273
Flash Point 126.968 °C
Transport Information
Appearance white crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, dimethyl ester (7CI,8CI,9CI);Dimethyl 1,4-bicyclo[2.2.2]octanedicarboxylate;
PSA 52.60000
LogP 1.67300

Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Specification

The Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate with the cas number 1459-96-7 is also called Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 1,4-dimethyl ester. Its molecular formula is C₁₂H₁₈O₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 56.64 cm³; (9)Molar Volume: 187.6 cm³; (10)Polarizability: 22.45×10^-24cm³; (11)Surface Tension: 48.4 dyne/cm; (12)Enthalpy of Vaporization: 51.2 kJ/mol; (13)Vapour Pressure: 0.00568 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C12CCC(C(=O)OC)(CC1)CC2
(2)InChI: InChI=1/C12H18O4/c1-15-9(13)11-3-6-12(7-4-11,8-5-11)10(14)16-2/h3-8H2,1-2H3
(3)InChIKey: HDOVTVDGSLEUSK-UHFFFAOYAI

Product Name

dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Specification

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