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Basic Information
CAS No.: 175-57-5
Name: 2-Oxaspiro[3,4]octane
Molecular Structure:
Molecular Structure of 175-57-5 (2-Oxaspiro[3,4]octane)
Formula: C7H12O
Molecular Weight: 112.172
Synonyms: 2-oxaspiro[3,4]octane
Density: 0.98 g/cm3
Boiling Point: 140.7 °C at 760 mmHg
Flash Point: 26.5 °C
PSA: 9.23000
LogP: 1.57700
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Specification

The 2-Oxaspiro[3,4]octane has CAS registry number 175-57-5. Its molecular formula is C7H12O and molecular weight is 112.1696. What's more, its systematic name is 1-Oxaspiro[3.4]octane.

Physical properties about the 2-Oxaspiro[3,4]octane are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 5.49; (6)ACD/BCF (pH 7.4): 5.49; (7)ACD/KOC (pH 5.5): 117.71; (8)ACD/KOC (pH 7.4): 117.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 32.11 cm3; (15)Molar Volume: 113.4 cm3; (16)Surface Tension: 31.1 dyne/cm; (17)Density: 0.98 g/cm3; (18)Flash Point: 26.5 °C; (19)Enthalpy of Vaporization: 36.23 kJ/mol; (20)Boiling Point: 140.7 °C at 760 mmHg; (21)Vapour Pressure: 7.56 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O2C1(CCCC1)CC2
(2) InChI: InChI=1/C7H12O/c1-2-4-7(3-1)5-6-8-7/h1-6H2
(3) InChIKey: WQHMXROXEJWWGS-UHFFFAOYAG