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54584-22-4

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Basic Information
CAS No.: 54584-22-4
Name: 6-Hydroxy-2-methylindole
Article Data: 4
Molecular Structure:
Molecular Structure of 54584-22-4 (6-Hydroxy-2-methylindole)
Formula: C9H9NO
Molecular Weight: 147.177
Synonyms: ZINC16698016;
Density: 1.262 g/cm3
Boiling Point: 344.843 °C at 760 mmHg
Flash Point: 162.355 °C
PSA: 36.02000
LogP: 2.18190
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Specification

The 6-Hydroxy-2-methylindole, with the CAS registry number 54584-22-4, is also known as ZINC16698016. This chemical's molecular formula is C9H9NO and molecular weight is 147.17386. Its IUPAC name is called 2-methyl-1H-indol-6-ol.

Physical properties of 6-Hydroxy-2-methylindole: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 246; (8)ACD/KOC (pH 7.4): 247; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.704; (13)Molar Refractivity: 45.235 cm3; (14)Molar Volume: 116.577 cm3; (15)Surface Tension: 59.203 dyne/cm; (16)Density: 1.262 g/cm3; (17)Flash Point: 162.355 °C; (18)Enthalpy of Vaporization: 61.213 kJ/mol; (19)Boiling Point: 344.843 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(N1)C=C(C=C2)O
(2)InChI: InChI=1S/C9H9NO/c1-6-4-7-2-3-8(11)5-9(7)10-6/h2-5,10-11H,1H3
(3)InChIKey: JKIGVFLHAJUPCP-UHFFFAOYSA-N