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22430-63-3

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Basic Information
CAS No.: 22430-63-3
Name: 5,6-Dimethyl-1H-indene
Article Data: 9
Molecular Structure:
Molecular Structure of 22430-63-3 (5,6-Dimethyl-1H-indene)
Formula: C11H12
Molecular Weight: 144.216
Synonyms: 5,6-dimethyl-1H-indene;Einecs 244-992-5
EINECS: 244-992-5
Density: 0.998 g/cm3
Boiling Point: 232.1 °C at 760 mmHg
Flash Point: 88.2 °C
PSA: 0.00000
LogP: 2.87270
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Specification

The 5,6-Dimethyl-1H-indene has the CAS registry number 22430-63-3. Its EINECS number is 244-992-5. This chemical's molecular formula is C11H12 and molecular weight is 144.21. What's more, its systematic name is 5,6-dimethyl-1H-indene. 

Physical properties of 5,6-Dimethyl-1H-indene are: (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)Index of Refraction: 1.574; (10)Molar Refractivity: 47.68 cm3; (11)Molar Volume: 144.3 cm3; (12)Polarizability: 18.9×10-24 cm3; (13)Surface Tension: 38.7 dyne/cm; (14)Density: 0.998 g/cm3; (15)Flash Point: 88.2 °C; (16)Enthalpy of Vaporization: 44.97 kJ/mol; (17)Boiling Point: 232.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0914 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1c(c(cc2c1\C=C/C2)C)C
(2)InChI: InChI=1/C11H12/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,6-7H,5H2,1-2H3
(3)InChIKey: RDAOPSHEXLLEKN-UHFFFAOYAZ