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CAS No.: | 34107-46-5 |
---|---|
Name: | (6-Methylpyridin-3-yl)methanol |
Article Data: | 52 |
Molecular Structure: | |
Formula: | C7H9NO |
Molecular Weight: | 123.155 |
Synonyms: | (6-Methylpyridin-3-yl)methanol;5-Hydroxymethyl-2-methylpyridine;6-Methyl-3-pyridinemethanol;6-Methyl-3-pyridylmethanol; |
EINECS: | 145-896-5 |
Density: | 1.092 g/cm3 |
Melting Point: | 43-47℃ |
Boiling Point: | 238.2 °C at 760 mmHg |
Flash Point: | 97.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 33.12000 |
LogP: | 0.88230 |
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The 3-Pyridinemethanol, 6-methyl-, with the CAS registry number of 34107-46-5, is also known as 5-(Hydroxymethyl)-2-methylpyridine and (6-Methyl-3-pyridinyl)methanol. This chemical's molecular formula is C7H9NO and molecular weight is 123.15. What's more, its IUPAC name is (6-Methylpyridin-3-yl)methanol.
Physical properties about 3-Pyridinemethanol, 6-methyl- are: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.75; (8)ACD/KOC (pH 7.4): 23.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 35.62 cm3; (15)Molar Volume: 112.7 cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Density: 1.092 g/cm3; (18)Flash Point: 97.9 °C; (19)Enthalpy of Vaporization: 50.2 kJ/mol; (20)Boiling Point: 238.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0235 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cnc(cc1)C
(2) InChI: InChI=1/C7H9NO/c1-6-2-3-7(5-9)4-8-6/h2-4,9H,5H2,1H3
(3) InChIKey: DJCJOWDAAZEMCI-UHFFFAOYAS