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| CAS No.: | 105596-63-2 |
|---|---|
| Name: | 2-Methoxy-4-pyridinecarboxylic acid |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C7H7NO3 |
| Molecular Weight: | 153.137 |
| Synonyms: | 2-Methoxy-pyridine-4-carboxylicacid;2-methoxyisonicotinic acid; |
| Density: | 1.284 g/cm3 |
| Melting Point: | 197-200 °C |
| Boiling Point: | 383 °C at 760 mmHg |
| Flash Point: | 185.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 59.42000 |
| LogP: | 0.78840 |
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Specification
The 2-Methoxy-4-pyridinecarboxylic acid, with the CAS registry number 105596-63-2, is also called 2-methoxyisonicotinic acid. And the molecular formula of this chemical is C7H7NO3. It belongs to the following product categories: Carboxylicacid; Blocks; Carboxes; Pyridines; Pyridine.
The physical properties of 2-Methoxy-4-pyridinecarboxylic acid are as following: (1)ACD/LogP: 1.35; (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: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 48.42 Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 37.95 cm3; (13)Molar Volume: 119.1 cm3; (14)Polarizability: 15.04×10-24cm3; (15)Surface Tension: 52.1 dyne/cm; (16)Density: 1.284 g/cm3; (17)Flash Point: 185.4 °C; (18)Enthalpy of Vaporization: 66.61 kJ/mol; (19)Boiling Point: 383 °C at 760 mmHg; (20)Vapour Pressure: 1.5E-06 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccnc(OC)c1
(2)InChI: InChI=1/C7H7NO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4H,1H3,(H,9,10)
(3)InChIKey: DPNDWFVORIGXQO-UHFFFAOYAH