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CAS No.: | 16384-97-7 |
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Name: | tricyclo[3.2.1.0~2,4~]octan-8-ol |
Molecular Structure: | |
Formula: | C8H12O |
Molecular Weight: | 124.18028 |
Synonyms: | Tricyclo(3.2.1.02,4)octan-8-ol, endo-syn-; |
Density: | 1.23 g/cm3 |
Boiling Point: | 221 °C at 760 mmHg |
Flash Point: | 89.4 °C |
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The Tricyclo(3.2.1.02,4)octan-8-ol, endo-anti-, with the CAS registry number of 16384-97-7, is also known as Tricyclo(3.2.1.02,4)octan-8-ol, endo-syn-. Its molecular formula is C8H12O and molecular weight is 124.18028. What's more, its systematic name is Tricyclo[3.2.1.02,4]octan-8-ol.
Physical properties about the Tricyclo(3.2.1.02,4)octan-8-ol are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.69; (6)ACD/BCF (pH 7.4): 3.69; (7)ACD/KOC (pH 5.5): 88.59; (8)ACD/KOC (pH 7.4): 88.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 34.58 cm3; (15)Molar Volume: 100.9 cm3; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 89.4 °C; (19)Enthalpy of Vaporization: 53.19 kJ/mol; (20)Boiling Point: 221 °C at 760 mmHg; (21)Vapour Pressure: 0.0228 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC3C1CCC3C2CC12
(2) InChI: InChI=1/C8H12O/c9-8-4-1-2-5(8)7-3-6(4)7/h4-9H,1-3H2
(3) InChIKey: KKIDVQSXZVWGTL-UHFFFAOYAK