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84646-68-4

Basic Information
CAS No.: 84646-68-4
Name: Dimethyl 3-Cyclopentene-1,1-dicarboxylate
Article Data: 40
Molecular Structure:
Molecular Structure of 84646-68-4 (Dimethyl 3-Cyclopentene-1,1-dicarboxylate)
Formula: C9H12O4
Molecular Weight: 184.192
Synonyms: 3-Cyclopentene-1,1-dicarboxylicacid, dimethyl ester (9CI);Dimethyl cyclopent-3-ene-1,1-dicarboxylate;
Density: 1.183g/cm3
Boiling Point: 205.1 °C at 760 mmHg
Flash Point: 91.5 °C
PSA: 52.60000
LogP: 0.66880
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  • Dimethyl 3-Cyclopentene-1,1-dicarboxylate CAS No.84646-68-4

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Specification

The Dimethyl 3-Cyclopentene-1,1-dicarboxylate, with CAS registry number 84646-68-4, has the systematic name of dimethyl cyclopent-3-ene-1,1-dicarboxylate. And its IUPAC name is the same one. Besides this, it is also called 3-Cyclopentene-1,1-dicarboxylic acid, dimethyl ester. And the chemical formula of this chemical is C9H12O4.

Physical properties of Dimethyl 3-Cyclopentene-1,1-dicarboxylate: (1)ACD/LogP: 1.19; (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: 1.483; (8)Molar Refractivity: 44.46 cm3; (9)Molar Volume: 155.6 cm3; (10)Polarizability: 17.62×10-24cm3; (11)Surface Tension: 41.7 dyne/cm; (12)Enthalpy of Vaporization: 44.13 kJ/mol; (13)Vapour Pressure: 0.255 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1(C(=O)OC)C/C=C\C1
(2)InChI: InChI=1/C9H12O4/c1-12-7(10)9(8(11)13-2)5-3-4-6-9/h3-4H,5-6H2,1-2H3
(3)InChIKey: PQMIUYZOJQILOZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H12O4/c1-12-7(10)9(8(11)13-2)5-3-4-6-9/h3-4H,5-6H2,1-2H3
(5)Std. InChIKey: PQMIUYZOJQILOZ-UHFFFAOYSA-N