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| CAS No.: | 22282-72-0 |
|---|---|
| Name: | 2-Hydroxyisonicotinic acid |
| Molecular Structure: | |
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| Formula: | C6H5NO3 |
| Molecular Weight: | 139.111 |
| Synonyms: | Isonicotinic acid, 2-hydroxy- (6CI,7CI,8CI);1,2-Dihydro-2-oxo-4-pyridinecarboxylic acid;2-Hydroxy-4-pyridinecarboxylic acid;2-Oxo-1,2-dihydropyridine-4-carboxylic acid;2-Pyridone-4-carboxylic acid;NSC 132888; |
| EINECS: | 947-323-1 |
| Density: | 1.451 g/cm3 |
| Melting Point: | 300 °C |
| Boiling Point: | 384 °C at 760 mmHg |
| Flash Point: | 186 °C |
| Hazard Symbols: |
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Specification
The 2-Hydroxyisonicotinic acid is an organic compound with the formula C6H5NO3. The IUPAC name of this chemical is 2-oxo-1H-pyridine-4-carboxylic acid. With the CAS registry number 22282-72-0, it is also named as 2-Hydroxy-4-pyridinecarboxylic acid. The product's categories are Inorganic & Organic Chemicals; Blocks; Carboxes; Pyridines. In addition, the molecular weight is 139.11.
The other characteristics of 2-Hydroxyisonicotinic acid can be summarized as: (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: 12.62×10-24 cm3; (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.
People can use the following data to convert to the molecule 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