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| CAS No.: | 1125-40-2 |
|---|---|
| Name: | 5-HYDROXY-3-METHYLINDOLE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C9H9NO |
| Molecular Weight: | 147.1739 |
| Synonyms: | 5-Hydroxy-3-methylindole;5-Hydroxyskatole;Indol-5-ol,3-methyl- (6CI,7CI,8CI);3-Methyl-1H-indol-5-ol;3-Methyl-5-hydroxyindole;Lumogen no. 1; |
| EINECS: | 200-589-5 |
| Density: | 1.262 g/cm3 |
| Melting Point: | 114-115 °C |
| Boiling Point: | 344.8 °C at 760 mmHg |
| Flash Point: | 162.3 °C |
| PSA: | 36.02000 |
| LogP: | 2.18190 |
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Specification
The 1H-Indol-5-ol,3-methyl-, with the CAS registry number 1125-40-2, is also known as 5-Hydroxy-3-methylindole. This chemical's molecular formula is C9H9NO and molecular weight is 147.17386. Its IUPAC name is called 3-methyl-1H-indol-5-ol.
Physical properties of 1H-Indol-5-ol,3-methyl-: (1)ACD/LogP: 1.43; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.703; (6)Molar Refractivity: 45.23 cm3; (7)Molar Volume: 116.5 cm3; (8)Surface Tension: 59.2 dyne/cm; (9)Density: 1.262 g/cm3; (10)Flash Point: 162.3 °C; (11)Enthalpy of Vaporization: 61.21 kJ/mol; (12)Boiling Point: 344.8 °C at 760 mmHg; (13)Vapour Pressure: 3.23E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CNC2=C1C=C(C=C2)O
(2)InChI: InChI=1S/C9H9NO/c1-6-5-10-9-3-2-7(11)4-8(6)9/h2-5,10-11H,1H3
(3)InChIKey: NPHFOFOYWYLBTF-UHFFFAOYSA-N