Basic information
- Name:
2-Methoxynicotinic acid
- CAS No.:
16498-81-0
- Molecular Structure:
- Formula:
- C7H7NO3
- Molecular Weight:
- 153.14
- Synonyms:
- 2-methoxypyridine-3-carboxylate;2-Methoxy Nicotinic Acid;2-Methoxy-nicotinic acid;
- Density:
- 1.284 g/cm3
- Melting Point:
- 146-150 °C(lit.)
- Boiling Point:
- 285.5 °C at 760 mmHg
- Flash Point:
- 126.5 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36-36/37/38
- Safety Description:
- 26-37/39 Details
- particular:
- particular
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Specification
The 2-Methoxynicotinic Acid, with its cas registry number 16498-81-0, has the systematic name of 2-methoxypyridine-3-carboxylic acid. And its product categories are various, including blocks; carboxes; pyridines; pyridine; niacin; organic acids; chiral chemicals.
The characteristics of this chemical are as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.42; (9)Index of Refraction: 1.549; (10)Molar Refractivity: 37.95 cm3; (11)Molar Volume: 119.1 cm3; (12)Polarizability: 15.04×10-24 cm3; (13)Surface Tension: 52.1 dyne/cm; (14)Density: 1.284 g/cm3; (15)Flash Point: 126.5 °C; (16)Enthalpy of Vaporization: 55.41 kJ/mol; (17)Boiling Point: 285.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0013 mmHg at 25°C; (19)Exact Mass: 152.034768; (20)MonoIsotopic Mass: 152.034768; (21)Topological Polar Surface Area: 62.2; (22)Heavy Atom Count: 11; (23)Formal Charge: -1; (24)Complexity: 143.
You should be cautious while dealing with this chemical. It is irritating to eyes, respiratory system and skin, and may cause inflammation to the skin or other mucous. So you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C(O)c1cccnc1OC
(2)InChI:InChI=1/C7H7NO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
(3)InChIKey:FTEZJSXSARPZHJ-UHFFFAOYAP
