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Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 1,4-dimethyl ester (1459-96-7)

Identification
Name:Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 1,4-dimethyl ester
Synonyms:Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, dimethyl ester (7CI,8CI,9CI);Dimethyl 1,4-bicyclo[2.2.2]octanedicarboxylate;
CAS:1459-96-7
Molecular Formula: C12H18O4
Molecular Weight: 0
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
Molecular Structure: (C12H18O4) Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, dimethyl ester (7CI,8CI,9CI);Dimethyl 1,4-bicyclo[2.2.2]o...
Properties
Density:1.205 g/cm3
Refractive index:1.515
Appearance:white crystal
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

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