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22430-64-4

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Basic Information
CAS No.: 22430-64-4
Name: 4,6-dimethyl-1H-indene
Article Data: 4
Molecular Structure:
Molecular Structure of 22430-64-4 (4,6-dimethyl-1H-indene)
Formula: C11H12
Molecular Weight: 144.216
Synonyms: Indene,4,6-dimethyl- (8CI);4,6-Dimethylindene;
EINECS: 244-993-0
Density: 0.998 g/cm3
Boiling Point: 229.1 °C at 760 mmHg
Flash Point: 86.2 °C
PSA: 0.00000
LogP: 2.87270
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Specification

The 1H-Indene,4,6-dimethyl-, with CAS registry number 22430-64-4, belongs to the following product category: Indanone & Indene. It has the systematic name of 4,6-dimethyl-1H-indene. And the chemical formula of this chemical is C11H12. What's more, its EINECS is 244-993-0.

Physical properties of 1H-Indene,4,6-dimethyl-: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 477.07; (6)ACD/BCF (pH 7.4): 477.07; (7)ACD/KOC (pH 5.5): 2876.95; (8)ACD/KOC (pH 7.4): 2876.95; (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: 1.574; (14)Molar Refractivity: 47.68 cm3; (15)Molar Volume: 144.3 cm3; (16)Polarizability: 18.9×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: 86.2 °C; (20)Enthalpy of Vaporization: 44.68 kJ/mol; (21)Boiling Point: 229.1 °C at 760 mmHg; (22)Vapour Pressure: 0.107 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(cc(cc2c1\C=C/C2)C)C
(2)InChI: InChI=1/C11H12/c1-8-6-9(2)11-5-3-4-10(11)7-8/h3,5-7H,4H2,1-2H3
(3)InChIKey: KIEPLAOSYPLFEI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H12/c1-8-6-9(2)11-5-3-4-10(11)7-8/h3,5-7H,4H2,1-2H3
(5)Std. InChIKey: KIEPLAOSYPLFEI-UHFFFAOYSA-N