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71172-73-1

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Basic Information
CAS No.: 71172-73-1
Name: 7-Oxabicyclo[4.1.0]heptane-1-carboxylicacid,butylester(6CI,9CI)
Molecular Structure:
Molecular Structure of 71172-73-1 (7-Oxabicyclo[4.1.0]heptane-1-carboxylicacid,butylester(6CI,9CI))
Formula: C11H18O3
Molecular Weight: 198.262
Synonyms: 7-Oxabicyclo[4.1.0]heptane-1-carboxylicacid,butylester(6CI,9CI);BUTYL 7-OXABICYCLO-(4.1.0)-HEPTANE-1-CARBOXYLATE
Density: 1.112g/cm3
Boiling Point: 254.6 °C at 760 mmHg
Flash Point: 100.4 °C
PSA: 38.83000
LogP: 2.04130
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Specification

The Butyl 7-oxabicyclo[4.1.0]heptane-1-carboxylate, with CAS registry number 71172-73-1, belongs to the following product category: Epoxyde. It has the systematic name of butyl 7-oxabicyclo[4.1.0]heptane-1-carboxylate. And the chemical formula of this chemical is C11H18O3.

Physical properties of Butyl 7-oxabicyclo[4.1.0]heptane-1-carboxylate: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 38.83 Å2; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 52.07 cm3; (9)Molar Volume: 178.1 cm3; (10)Polarizability: 20.64×10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.112 g/cm3; (13)Flash Point: 100.4 °C; (14)Enthalpy of Vaporization: 49.2 kJ/mol; (15)Boiling Point: 254.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0171 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCC)C21OC1CCCC2
(2)InChI: InChI=1/C11H18O3/c1-2-3-8-13-10(12)11-7-5-4-6-9(11)14-11/h9H,2-8H2,1H3
(3)InChIKey: QRTSHBQBKCWJGF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H18O3/c1-2-3-8-13-10(12)11-7-5-4-6-9(11)14-11/h9H,2-8H2,1H3
(5)Std. InChIKey: QRTSHBQBKCWJGF-UHFFFAOYSA-N