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CAS No.: | 73321-24-1 |
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Name: | 4,7-dihydro-2H-4,7-ethanoindene |
Molecular Structure: | |
Formula: | C11H12 |
Molecular Weight: | 144.216 |
Synonyms: | Tricyclo(5.2.2.02,6)undeca-2, 5, 8-triene; |
Density: | 1.06 g/cm3 |
Boiling Point: | 269.2 °C at 760 mmHg |
Flash Point: | 88.2 °C |
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The 4, 7-Ethano-2H-indene, 4, 7-dihydro-, with the CAS registry number 73321-24-1, is also known as Tricyclo(5.2.2.02,6)undeca-2, 5, 8-triene. This chemical's molecular formula is C11H12 and molecular weight is 144.2130. What's more, its systematic name is 4, 7-Dihydro-2H-4, 7-ethanoindene.
Physical properties about 4, 7-Ethano-2H-indene, 4, 7-dihydro- are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 202.61; (6)ACD/BCF (pH 7.4): 202.61; (7)ACD/KOC (pH 5.5): 1558.52; (8)ACD/KOC (pH 7.4): 1558.52; (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: 1.598; (14)Molar Refractivity: 46.07 cm3; (15)Molar Volume: 134.9 cm3; (16)Polarizability: 18.26×10-24 cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 88.2 °C; (20)Enthalpy of Vaporization: 48.69 kJ/mol; (21)Boiling Point: 269.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0122 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C\1=C2\C(=C/C/1)C3\C=C/C2CC3
(2) InChI: InChI=1/C11H12/c1-2-10-8-4-6-9(7-5-8)11(10)3-1/h2-4,6,8-9H,1,5,7H2
(3) InChIKey: HCHKKNABZPUOFQ-UHFFFAOYAI