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Basic Information
CAS No.: 13357-56-7
Name: 4-Oxa-spiro[2,3]hexane
Molecular Structure:
Molecular Structure of 13357-56-7 (4-Oxa-spiro[2,3]hexane)
Formula: C5H8O
Molecular Weight: 84.1164
Synonyms: 2-Oxaspiro[2,3]hexane;
Density: 1.05 g/cm3
Boiling Point: 101.3 °C at 760 mmHg
Flash Point: 0.9 °C
PSA: 9.23000
LogP: 0.93930
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Specification

The 4-Oxaspiro[2.3]hexane, with the CAS registry number of 13357-56-7, is also known as 2-Oxaspiro[2,3]hexane. Its molecular formula is C5H8O and molecular weight is 84.1164. What's more, its systematic name is 1-Oxaspiro[2.3]hexane.

Physical properties about the 4-Oxaspiro[2.3]hexane are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.63; (8)ACD/KOC (pH 7.4): 28.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 22.85 cm3; (15)Molar Volume: 79.9 cm3; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 1.05 g/cm3; (18)Flash Point: 0.9 °C; (19)Enthalpy of Vaporization: 32.64 kJ/mol; (20)Boiling Point: 101.3 °C at 760 mmHg; (21)Vapour Pressure: 40.8 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O2C1(CCC1)C2
(2) InChI: InChI=1/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2
(3) InChIKey: APUDJEBZDAGSQY-UHFFFAOYAX