Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)- |
EINECS | N/A |
CAS No. | 116060-92-5 | Density | 1.303 g/cm3 |
PSA | 76.49000 | LogP | 2.01940 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 280816; |
Article Data | 2 |
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