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| CAS No.: | 169253-31-0 |
|---|---|
| Name: | 2-HYDROXYISONICOTINIC ACID |
| Molecular Structure: | |
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| Formula: | C6H5NO3 |
| Molecular Weight: | 139.11 |
| Synonyms: | RARECHEM AL BO 2291;2-HYDROXYPYRIDINE-4-CARBOXYLIC ACID;4-CARBOXY-2(1H)-PYRIDINONE;4-Pyridinecarboxylicacid,2,3-dihydro-2-oxo-(9CI) |
| Density: | 1.451 g/cm3 |
| Boiling Point: | 384 °C at 760 mmHg |
| Flash Point: | 186 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 70.16000 |
| LogP: | 0.07310 |
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- Total:34 Page 1 of 1 1
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Specification
The 2-Hydroxy-4-pyridinecarboxylic acid, with CAS registry number 169253-31-0, belongs to the following product categories: (1)Pyridines, Pyrimidines, Purines and Pteredines; (2)Carboxylic Acids; (3)Pyridines. It has the systematic name of 2-oxo-1,2-dihydropyridine-4-carboxylic acid. And the chemical formula of this chemical is C6H5NO3.
Physical properties of 2-Hydroxy-4-pyridinecarboxylic acid: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 31.84 cm3; (13)Molar Volume: 95.8 cm3; (14)Polarizability: 12.62×10-24cm3; (15)Surface Tension: 61 dyne/cm; (16)Density: 1.451 g/cm3; (17)Flash Point: 186 °C; (18)Enthalpy of Vaporization: 69.45 kJ/mol; (19)Boiling Point: 384 °C at 760 mmHg; (20)Vapour Pressure: 5.81E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C=1\C=C/NC(=O)C=1
(2)InChI: InChI=1/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)
(3)InChIKey: BXHCJLRTXPHUGH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)
(5)Std. InChIKey: BXHCJLRTXPHUGH-UHFFFAOYSA-N