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185-06-8

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Basic Information
CAS No.: 185-06-8
Name: 2-oxaspiro[3,5]nonane
Article Data: 2
Molecular Structure:
Molecular Structure of 185-06-8 (2-oxaspiro[3,5]nonane)
Formula: C8H14O
Molecular Weight: 126.199
Synonyms: 2-oxaspiro[3,5]nonane
Density: 0.971 g/cm3
Boiling Point: 160.088 °C at 760 mmHg
Flash Point: 38.386 °C
PSA: 9.23000
LogP: 1.96710
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Specification

Systematic name of this chemical is 2-Oxaspiro[3.5]nonane and its CAS registry number is 185-06-8. Its molecular formula is C8H14O and molecular weight is 126.1962.

Physical properties about the 2-Oxaspiro[3.5]nonane are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 239; (8)ACD/KOC (pH 7.4): 239; (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: 1.477; (14)Molar Refractivity: 36.748 cm3; (15)Molar Volume: 130.023 cm3; (16)Surface Tension: 31.477 dyne/cm; (17)Density: 0.971 g/cm3; (18)Flash Point: 38.386 °C; (19)Enthalpy of Vaporization: 38.038 kJ/mol; (20)Boiling Point: 160.088 °C at 760 mmHg; (21)Vapour Pressure: 3.153 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCCCC12COC2
(2) InChI: InChI=1/C8H14O/c1-2-4-8(5-3-1)6-9-7-8/h1-7H2
(3) InChIKey: PNLURCRXZLVRJR-UHFFFAOYAD