2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)- supplier

Name
3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID
EINECS
CAS No. 116060-92-5
Article Data2
CAS DataBase
Density 1.303 g/cm³
Solubility
Melting Point 160-161 °C(Solv: benzene (71-43-2))
Formula C₁₄H₁₁NO₄
Boiling Point 506.4 °C at 760 mmHg
Molecular Weight 257.24
Flash Point 260 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 280816;
PSA 76.49000
LogP 2.01940

2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)- Specification

The 2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)- is an organic compound with the formula C₁₄H₁₁NO₄. The systematic name of this chemical is 3-(4-Methoxybenzoyl)pyridine-2-carboxylic acid. With the CAS registry number 116060-92-5, it is also named as 3-(4-Methoxybenzoyl)-pyridine-2-carboxylic acid. Besides, its molecular weight is 257.24.

The physical properties of 2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)- are: (1)ACD/LogP: 0.56; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 65.49 Å²; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 67.74 cm³; (12)Molar Volume: 197.3 cm³; (13)Polarizability: 26.85×10^-24 cm³; (14)Surface Tension: 56 dyne/cm; (15)Density: 1.303 g/cm³; (16)Flash Point: 260 °C; (17)Enthalpy of Vaporization: 81.73 kJ/mol; (18)Boiling Point: 506.4 °C at 760 mmHg; (19)Vapour Pressure: 4.48E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ncccc2C(=O)c1ccc(OC)cc1
(2)InChI: InChI=1/C14H11NO4/c1-19-10-6-4-9(5-7-10)13(16)11-3-2-8-15-12(11)14(17)18/h2-8H,1H3,(H,17,18)
(3)InChIKey: AYPXSNXRKBOINP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H11NO4/c1-19-10-6-4-9(5-7-10)13(16)11-3-2-8-15-12(11)14(17)18/h2-8H,1H3,(H,17,18)
(5)Std. InChIKey: AYPXSNXRKBOINP-UHFFFAOYSA-N

Product Name

3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID

2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)- Specification

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