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CAS No.: | 50895-58-4 |
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Name: | tricyclo[5.1.0.0~2,4~]octane |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H12 |
Molecular Weight: | 108.1809 |
Synonyms: | Tricyclo[5.1.0.02,4]octane,(1α,2β,4β,7α)-; |
Density: | 1.04 g/cm3 |
Boiling Point: | 136.6 °Cat760mmHg |
Flash Point: | 14.1 °C |
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The Tricyclo(5.1.0.02,4)octane, anti, with the CAS registry number of 50895-58-4, is also known as Tricyclo[5.1.0.02,4]octane,(1α,2β,4β,7α)-. Its molecular formula is C8H12 and molecular weight is 108.180880. What's more, its systematic name is Tricyclo[5.1.0.02,4]octane.
Physical properties about the Tricyclo(5.1.0.02,4)octane, anti are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 132.13; (6)ACD/BCF (pH 7.4): 132.13; (7)ACD/KOC (pH 5.5): 1147.69; (8)ACD/KOC (pH 7.4): 1147.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 32.99 cm3; (15)Molar Volume: 103.9 cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.04 g/cm3; (18)Flash Point: 14.1 °C; (19)Enthalpy of Vaporization: 35.85 kJ/mol; (20)Boiling Point: 136.6 °C at 760 mmHg; (21)Vapour Pressure: 9.08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C2C3CCC1CC1C23
(2) InChI: InChI=1/C8H12/c1-2-6-4-8(6)7-3-5(1)7/h5-8H,1-4H2
(3) InChIKey: XQEJJLIDZZEQHO-UHFFFAOYAD