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| CAS No.: | 159531-97-2 |
|---|---|
| Name: | 2-METHYL-4-PHENYLINDENE |
| Molecular Structure: | |
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| Formula: | C16H14 |
| Molecular Weight: | 206.287 |
| Synonyms: | 2-Methyl-4-phenylindene; |
| Density: | 1.057 g/cm3 |
| Boiling Point: | 358.985 °C at 760 mmHg |
| Flash Point: | 183.712 °C |
| PSA: | 0.00000 |
| LogP: | 4.31300 |
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Specification
This chemical is called 1H-Indene,2-methyl-4-phenyl-, and its systematic name is 2-methyl-4-phenyl-1H-indene. With the molecular formula of C16H14, its molecular weight is 206.28. The CAS registry number of the chemical is 159531-97-2.
Other characteristics of 1H-Indene,2-methyl-4-phenyl- can be summarised as followings: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 5800; (6)ACD/BCF (pH 7.4): 5800; (7)ACD/KOC (pH 5.5): 17198; (8)ACD/KOC (pH 7.4): 17198; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 67.327 cm3; (14)Molar Volume: 195.087 cm3; (15)Polarizability: 26.69×10-24cm3; (16)Surface Tension: 39.318 dyne/cm; (17)Density: 1.057 g/cm3; (18)Flash Point: 183.712 °C; (19)Enthalpy of Vaporization: 58.071 kJ/mol; (20)Boiling Point: 358.985 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC=1Cc2cccc(c2C=1)c3ccccc3
2.InChI: InChI=1/C16H14/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3
3.InChIKey: ASGNRCDZSRNHOP-UHFFFAOYAN
4.Std. InChI: InChI=1S/C16H14/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3
5.Std. InChIKey: ASGNRCDZSRNHOP-UHFFFAOYSA-N