Dimethyl 3-Cyclopentene-1,1-dicarboxylate supplier

Name
Dimethyl 3-Cyclopentene-1,1-dicarboxylate
EINECS
CAS No. 84646-68-4
Article Data40
CAS DataBase
Density 1.183g/cm³
Solubility
Melting Point
Formula C₉H₁₂O₄
Boiling Point 205.1 °C at 760 mmHg
Molecular Weight 184.192
Flash Point 91.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyclopentene-1,1-dicarboxylicacid, dimethyl ester (9CI);Dimethyl cyclopent-3-ene-1,1-dicarboxylate;
PSA 52.60000
LogP 0.66880

Dimethyl 3-Cyclopentene-1,1-dicarboxylate 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

Product Name

Dimethyl 3-Cyclopentene-1,1-dicarboxylate

Dimethyl 3-Cyclopentene-1,1-dicarboxylate Specification

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