CAS No.51362-08-4,2-PHENOXY ISONICOTINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51362-08-4
Name:	2-PHENOXY ISONICOTINIC ACID

Formula:	C₁₂H₉NO₃
Molecular Weight:	215.20
Synonyms:	2-Phenoxyisonicotinic acid;
Density:	1.298 g/cm³
Boiling Point:	466.3 °C at 760 mmHg
Flash Point:	235.8 °C
PSA:	59.42000
LogP:	2.57210

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Specification

The systematic name of 2-Phenoxyisonicotinic acid is 2-phenoxypyridine-4-carboxylic acid. With the CAS registry number 51362-08-4, it is also named as 4-Pyridinecarboxylicacid, 2-phenoxy-. The product's categories are pyridine series, carboxylic acids and pyridines, its molecular formula is C₁₂H₉NO₃ and its molecular weight is 215.20.

The other characteristics of 2-Phenoxyisonicotinic acid can be summarized as: (1)ACD/LogP: 2.22; (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): 1.92; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 4; (8)H bond donors: 1; (9)Freely Rotating Bonds: 3; (10)Polar Surface Area: 59.42 Å²; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 57.71 cm³; (13)Molar Volume: 165.7 cm³; (14)Polarizability: 22.88×10^-24cm³; (15)Surface Tension: 56.5 dyne/cm; (16)Density: 1.298 g/cm³; (17)Flash Point: 235.8 °C; (18)Enthalpy of Vaporization: 76.71 kJ/mol; (19)Boiling Point: 466.3 °C at 760 mmHg; (20)Vapour Pressure: 1.7E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)c2ccnc(Oc1ccccc1)c2
(2)InChI:InChI=1/C12H9NO3/c14-12(15)9-6-7-13-11(8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
(3)InChIKey:MVRLAYNMGBRJTD-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C12H9NO3/c14-12(15)9-6-7-13-11(8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
(5)Std. InChIKey:MVRLAYNMGBRJTD-UHFFFAOYSA-N