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| CAS No.: | 63485-73-4 |
|---|---|
| Name: | 3-Methylisoquinolin-7-ol |
| Molecular Structure: | |
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| Formula: | C10H9NO |
| Molecular Weight: | 159.188 |
| Synonyms: | 1-Methylisoquinolin-5-ol;3-Methylisoquinolin-7-ol;3-Methyl-7-hydroxyisoquinoline; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 252-255℃ |
| Boiling Point: | 329.7 °C at 760 mmHg |
| Flash Point: | 153.2 °C |
| PSA: | 33.12000 |
| LogP: | 2.24880 |
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Specification
The 3-Methyl-7-hydroxyisoquinoline, with the CAS registry number 63485-73-4, is also known as 3-Methyl-7-hydroxyisoquinoline. This chemical's molecular formula is C10H9NO and molecular weight is 159.18. What's more, its systematic name is 1-Methylisoquinolin-5-ol.
Physical properties of 3-Methyl-7-hydroxyisoquinoline are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 2.54; (6)ACD/BCF (pH 7.4): 9.59; (7)ACD/KOC (pH 5.5): 44.47; (8)ACD/KOC (pH 7.4): 168.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 48.89 cm3; (15)Molar Volume: 131.4 cm3; (16)Polarizability: 19.38×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 153.2 °C; (20)Enthalpy of Vaporization: 59.5 kJ/mol; (21)Boiling Point: 329.7 °C at 760 mmHg; (22)Vapour Pressure: 9.08E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cccc1c2ccnc1C
(2)InChI: InChI=1S/C10H9NO/c1-7-8-3-2-4-10(12)9(8)5-6-11-7/h2-6,12H,1H3
(3)InChIKey: BKMZNTDCSUNCMV-UHFFFAOYSA-N