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CAS No.: | 174-75-4 |
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Name: | 2-Oxaspiro[3,3]heptane |
Molecular Structure: | |
Formula: | C6H10O |
Molecular Weight: | 98.143 |
Synonyms: | 2-oxaspiro[3,3]heptane |
Density: | 1.01 g/cm3 |
Boiling Point: | 121 °C at 760 mmHg |
Flash Point: | 14 °C |
PSA: | 9.23000 |
LogP: | 1.18690 |
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The 2-Oxaspiro[3,3]heptane has CAS registry number 174-75-4. Its molecular formula is C6H10O and molecular weight is 98.143. What's more, its systematic name is 1-Oxaspiro[3.3]heptane.
Physical properties about the 2-Oxaspiro[3,3]heptane are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.04; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 58.06; (8)ACD/KOC (pH 7.4): 58.06; (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: 1.48; (14)Molar Refractivity: 27.48 cm3; (15)Molar Volume: 96.7 cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 1.01 g/cm3; (18)Flash Point: 14 °C; (19)Enthalpy of Vaporization: 34.42 kJ/mol; (20)Boiling Point: 121 °C at 760 mmHg; (21)Vapour Pressure: 17.9 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O2C1(CCC1)CC2
(2) InChI: InChI=1/C6H10O/c1-2-6(3-1)4-5-7-6/h1-5H2
(3) InChIKey: KRFIYIXZGDGKNI-UHFFFAOYAN