CAS No.1540-32-5,ETHYL A-ACETYLCYCLOPENTANEACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1540-32-5
Name:	ETHYL A-ACETYLCYCLOPENTANEACETATE

Formula:	C₁₁H₁₈O₃
Molecular Weight:	198.262
Synonyms:	Ethyl2-cyclopentyl-3-methyl-3-oxopropionate;Ethyl 2-cyclopentylacetoacetate;
Density:	1.038 g/cm³
Boiling Point:	266.7 °C at 760 mmHg
Flash Point:	111.2 °C
PSA:	43.37000
LogP:	1.94490

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Specification

The Cyclopentaneaceticacid, a-acetyl-, ethyl ester, with the CAS registry number 1540-32-5, is also known as Ethyl2-cyclopentyl-3-methyl-3-oxopropionate and Ethyl 2-cyclopentylacetoacetate. This chemical's molecular formula is C₁₁H₁₈O₃ and molecular weight is 198.2588. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-cyclopentyl-3-oxobutanoate.

Physical properties about Cyclopentaneaceticacid, a-acetyl-, ethyl ester are: (1) ACD/LogP: 2.56; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.56; (4) ACD/LogD (pH 7.4): 2.56; (5) ACD/BCF (pH 5.5): 51.84; (6) ACD/BCF (pH 7.4): 51.84; (7) ACD/KOC (pH 5.5): 587.46; (8) ACD/KOC (pH 7.4): 587.42; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 43.37 Å²; (13) Index of Refraction: 1.463; (14) Molar Refractivity: 52.62 cm³; (15) Molar Volume: 190.9 cm³; (16) Polarizability: 20.86×10^-24 cm³; (17) Surface Tension: 35.9 dyne/cm; (18) Density: 1.038 g/cm³; (19) Flash Point: 111.2 °C; (20) Enthalpy of Vaporization: 50.47 kJ/mol; (21) Boiling Point: 266.7 °C at 760 mmHg; (22) Vapour Pressure: 0.0085 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(C(C)=O)C1CCCC1
(2) InChI: InChI=1/C11H18O3/c1-3-14-11(13)10(8(2)12)9-6-4-5-7-9/h9-10H,3-7H2,1-2H3
(3) InChIKey: CRISDWSRLFVDOU-UHFFFAOYAG