CAS No.68227-51-0,2-methyl-5-oxo-1-cyclopenten-1-yl butyrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68227-51-0
Name:	2-methyl-5-oxo-1-cyclopenten-1-yl butyrate

Formula:	C₁₀H₁₄O₃
Molecular Weight:	182.219
Synonyms:	(2-methyl-5-oxo-1-cyclopentenyl) butanoate;Cyclotene butyrate;3-Methyl-2-hydroxy-2-cyclopenten-1-one, butyrate;2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate;
EINECS:	269-363-2
Density:	1.07 g/cm³
Boiling Point:	305.8 °C at 760 mmHg
Flash Point:	134 °C
PSA:	43.37000
LogP:	1.96660

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Specification

This chemical is called 2-methyl-5-oxo-1-cyclopenten-1-yl butyrate, and its systematic name is 2-Methyl-5-oxocyclopent-1-en-1-yl butanoate. With the molecular formula of C₁₀H₁₄O₃, its molecular weight is 182.22. The CAS registry number of the chemical is 68227-51-0.

Other characteristics of 2-methyl-5-oxo-1-cyclopenten-1-yl butyrate can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.5; (6)ACD/BCF (pH 7.4): 14.5; (7)ACD/KOC (pH 5.5): 236; (8)ACD/KOC (pH 7.4): 236; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 47.72 cm³; (15)Molar Volume: 168.8 cm³; (16)Polarizability: 18.92×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 134 °C; (20)Enthalpy of Vaporization: 54.62 kJ/mol; (21)Boiling Point: 305.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000805 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O/C1=C(/CCC1=O)C)CCC
2.InChI: InChI=1/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3
3.InChIKey: SUJWBOKDKMEAOQ-UHFFFAOYAE
4.Std. InChI: InChI=1S/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3
5.Std. InChIKey: SUJWBOKDKMEAOQ-UHFFFAOYSA-N