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61788-30-5

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Basic Information
CAS No.: 61788-30-5
Name: Ethyl2-cyano-2-cyclopentylacetate
Article Data: 13
Molecular Structure:
Molecular Structure of 61788-30-5 (Ethyl2-cyano-2-cyclopentylacetate)
Formula: C10H15NO2
Molecular Weight: 181.2316
Synonyms: Cyano-cyclopentyl-acetic acid ethyl ester;
Density: 1.062 g/cm3
Boiling Point: 289.696 °C at 760 mmHg
Flash Point: 132.736 °C
PSA: 50.09000
LogP: 1.87948
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Specification

The Ethyl 2-cyano-2-cyclopentylacetate, with the CAS registry number 61788-30-5, is also known as Cyano-cyclopentyl-acetic acid ethyl ester. This chemical's molecular formula is C10H15NO2 and molecular weight is 181.2316. What's more, its systematic name is Ethyl 2-cyano-2-cyclopentyl-acetate.

Physical properties about Ethyl2-cyano-2-cyclopentylacetate are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 50.09 Å2; (7)Index of Refraction: 1.473; (8)Molar Refractivity: 47.877 cm3; (9)Molar Volume: 170.704 cm3; (10)Polarizability: 18.98×10-24 cm3; (11)Surface Tension: 40.934 dyne/cm; (12)Density: 1.062 g/cm3; (13)Flash Point: 132.736 °C; (14)Enthalpy of Vaporization: 52.902 kJ/mol; (15)Boiling Point: 289.696 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C(C#N)C1CCCC1
(2) InChI: InChI=1/C10H15NO2/c1-2-13-10(12)9(7-11)8-5-3-4-6-8/h8-9H,2-6H2,1H3
(3) InChIKey: UKDOGUMRMRNHQA-UHFFFAOYAU