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1242-76-8

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Basic Information
CAS No.: 1242-76-8
Name: Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-
Molecular Structure:
Molecular Structure of 1242-76-8 (Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-)
Formula: C25H24
Molecular Weight: 324.466
Synonyms: 1,2,3,4-Tetrahydro-2,2,9-trimethylpicene;2,2,9-Trimethyl-1,2,3,4-tetrahydropicene;
Density: 1.106 g/cm3
Boiling Point: 520.3 °C at 760 mmHg
Flash Point: 265.5 °C
PSA: 0.00000
LogP: 6.96950
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  • Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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    1242-76-8

    Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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  • Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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    Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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  • Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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    1242-76-8

    Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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  • Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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    Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

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    laboratory Application:Synthetic building block

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Specification

The Picene, 1, 2, 3, 4-tetrahydro-2, 2, 9-trimethyl-, with the CAS registry number of 1242-76-8, is also known as 2, 2, 9-Trimethyl-1, 2, 3, 4-tetrahydropicene. This chemical's molecular formula is C25H24 and molecular weight is 324.4581. What's more, its IUPAC name is 2, 2, 9-Trimethyl-3, 4-dihydro-1H-picene. 

Physical properties about Picene, 1, 2, 3, 4-tetrahydro-2, 2, 9-trimethyl- are: (1)ACD/LogP: 9.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.09; (4)ACD/LogD (pH 7.4): 9.09; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2096121.13; (8)ACD/KOC (pH 7.4): 2096121.13; (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: 1.679; (14)Molar Refractivity: 110.71 cm3; (15)Molar Volume: 293.2 cm3; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 265.5 °C; (19)Enthalpy of Vaporization: 76.34 kJ/mol; (20)Boiling Point: 520.3 °C at 760 mmHg; (21)Vapour Pressure: 2.08E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c21ccc5c(c1ccc4c2ccc3c(cccc34)C)CC(C)(C)CC5
(2) InChI: InChI=1/C25H24/c1-16-5-4-6-19-18(16)9-10-22-20-8-7-17-13-14-25(2,3)15-24(17)23(20)12-11-21(19)22/h4-12H,13-15H2,1-3H3
(3) InChIKey: QTTSLFHFYFQOPR-UHFFFAOYAW