Name: 1,2,3,5-Tetrahydro-6-methyl-4-phenyl-s-indacene
SKU: 852160-02-2

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Basic Information

Molecular Structure:
CAS No.:	852160-02-2
Name:	1,2,3,5-Tetrahydro-6-methyl-4-phenyl-s-indacene
Article Data:	3

Formula:	C₁₉H₁₈
Molecular Weight:	246.352
Synonyms:	6-Methyl-4-phenyl-1,2,3,5-tetrahydro-s-indacene;1,2,3,5-Tetrahydro-6-methyl-4-phenyl-s-indacene;
EINECS:	1533716-785-6
Density:	1.098 g/cm³
Boiling Point:	421.1 °C at 760 mmHg
Flash Point:	231.8 °C
PSA:	0.00000
LogP:	4.80170

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Specification

The 1,2,3,5-Tetrahydro-6-methyl-4-phenyl-s-indacene, with the CAS registry number 852160-02-2, is also known as 6-Methyl-4-phenyl-1,2,3,5-tetrahydro-s-indacene. This chemical's molecular formula is C₁₉H₁₈ and molecular weight is 246.35. What's more, its systematic name is called s-Indacene, 1,2,3,5-tetrahydro-6-methyl-4-phenyl-.

Physical properties about 1,2,3,5-Tetrahydro-6-methyl-4-phenyl-s-indacene are: (1) ACD/LogP: 6.38; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6.38; (4) ACD/LogD (pH 7.4): 6.38; (5) ACD/BCF (pH 5.5): 41274.62; (6) ACD/BCF (pH 7.4): 41274.62; (7) ACD/KOC (pH 5.5): 70063.05; (8) ACD/KOC (pH 7.4): 70063.05; (9) #H bond acceptors: 0 (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: Å²; (13) Index of Refraction: 1.627; (14) Molar Refractivity: 79.5 cm³; (15) Molar Volume: 224.1 cm³; (16) Surface Tension: 43.4 dyne/cm; (17) Density: 1.098 g/cm³; (18) Flash Point: 231.8 °C; (19) Enthalpy of Vaporization: 64.89 kJ/mol; (20) Boiling Point: 421.1 °C at 760 mmHg; (21) Vapour Pressure: 6.54E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1=Cc2cc3c(c(c2C1)c4ccccc4)CCC3
(2) InChI: InChI=1/C19H18/c1-13-10-16-12-15-8-5-9-17(15)19(18(16)11-13)14-6-3-2-4-7-14/h2-4,6-7,10,12H,5,8-9,11H2,1H3
(3) InChIKey: IWFLUEXAMNDOOL-UHFFFAOYAL