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Basic Information
CAS No.: 54020-53-0
Name: 5,7-Dimethyl-1H-indole
Article Data: 1
Molecular Structure:
Molecular Structure of 54020-53-0 (5,7-Dimethyl-1H-indole)
Formula: C10H11N
Molecular Weight: 145.201
Synonyms: 5,7-Dimethyl-1H-indole;
Density: 1.08 g/cm3
Boiling Point: 277.8 °C at 760 mmHg
Flash Point: 117.5 °C
PSA: 15.79000
LogP: 2.78470
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Specification

The 5,7-Dimethylindole, with the CAS registry number 54020-53-0, is also known as 1H-Indole, 5,7-dimethyl-. This chemical's molecular formula is C10H11N and molecular weight is 145.201. What's more, its systematic name is called 5,7-Dimethyl-1H-indole.

Physical properties about 5,7-Dimethylindole are: (1) ACD/LogP: 3.06; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.06; (4) ACD/LogD (pH 7.4): 3.06; (5) ACD/BCF (pH 5.5): 125.19; (6) ACD/BCF (pH 7.4): 125.19; (7) ACD/KOC (pH 5.5): 1104.17; (8) ACD/KOC (pH 7.4): 1104.21; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 4.93 Å2; (13) Index of Refraction: 1.635; (14) Molar Refractivity: 48.17 cm3; (15) Molar Volume: 134.4 cm3; (16) Surface Tension: 43.8 dyne/cm; (17) Density: 1.08 g/cm3; (18) Flash Point: 117.5 °C; (19) Enthalpy of Vaporization: 49.56 kJ/mol; (20) Boiling Point: 277.8 °C at 760 mmHg; (21) Vapour Pressure: 0.00749 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(c2c1ccn2)C)C
(2) InChI: InChI=1/C10H11N/c1-7-5-8(2)10-9(6-7)3-4-11-10/h3-6,11H,1-2H3
(3) InChIKey: DVHNMQQXLMOZKB-UHFFFAOYAV