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| CAS No.: | 38070-79-0 |
|---|---|
| Name: | PYRIDINE-2,3-DIMETHANOL |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H9NO2 |
| Molecular Weight: | 139.154 |
| Synonyms: | 2,3-Bis(hydroxymethyl)pyridine; |
| EINECS: | 1312995-182-4 |
| Density: | 1.262 g/cm3 |
| Boiling Point: | 315.631 °C at 760 mmHg |
| Flash Point: | 144.689 °C |
| PSA: | 53.35000 |
| LogP: | 0.06620 |
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Specification
The Pyridine-2,3-dimethanol, with the CAS registry number 38070-79-0, is also known as 2,3-Bis(hydroxymethyl)pyridine. This chemical's molecular formula is C7H9NO2 and molecular weight is 139.15. What's more, its systematic name is 2,3-Pyridinediyldimethanol.
Physical properties of Pyridine-2,3-dimethanol are: (1)ACD/LogP: -1.472; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -1.47; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.48; (8)ACD/KOC (pH 7.4): 3.77; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 37.247 cm3; (15)Molar Volume: 110.29 cm3; (16)Polarizability: 14.766×10-24cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 144.689 °C; (20)Enthalpy of Vaporization: 58.795 kJ/mol; (21)Boiling Point: 315.631 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ncccc1CO
(2)Std. InChI: InChI=1S/C7H9NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,9-10H,4-5H2
(3)Std. InChIKey: DFTLQVHYDAMGCG-UHFFFAOYSA-N