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Name |
3-Pyridinecarboxylicacid, 6-[(tetrahydro-2H-pyran-4-yl)oxy]- |
EINECS | N/A |
CAS No. | 886851-55-4 | Density | 1.292 g/cm3 |
PSA | 68.65000 | LogP | 1.33760 |
Solubility | N/A | Melting Point |
168 °C |
Formula | C11H13NO4 | Boiling Point | 392.3 °C at 760 mmHg |
Molecular Weight | 223.22522 | Flash Point | 191 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-(Tetrahydro-2H-pyran-4-yloxy)nicotinicacid; |
The 3-Pyridinecarboxylicacid, 6-[(tetrahydro-2H-pyran-4-yl)oxy]- is an organic compound with the formula C11H13NO4. The systematic name of this chemical is 6-tetrahydropyran-4-yloxypyridine-3-carboxylic acid. With the CAS registry number 886851-55-4, it is also named as 2-(Tetrahydropyran-4-yloxy)pyridine-5-carboxylic acid. The product's categories are Carboxylic Acids; Pyridines; Carboxylic Acids.
Physical properties about 3-Pyridinecarboxylicacid, 6-[(tetrahydro-2H-pyran-4-yl)oxy]- are: (1)ACD/LogP: 0.84; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 68.65 Å2; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 55.98 cm3; (8)Molar Volume: 172.7 cm3; (9)Polarizability: 22.19×10-24cm3; (10)Surface Tension: 55.8 dyne/cm; (11)Density: 1.292 g/cm3; (12)Flash Point: 191 °C; (13)Enthalpy of Vaporization: 67.71 kJ/mol; (14)Boiling Point: 392.3 °C at 760 mmHg; (15)Vapour Pressure: 7.41E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1C(=O)O)OC2CCOCC2
(2)InChI: InChI=1/C11H13NO4/c13-11(14)8-1-2-10(12-7-8)16-9-3-5-15-6-4-9/h1-2,7,9H,3-6H2,(H,13,14)
(3)InChIKey: OLOSQIMMFCSJHD-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H13NO4/c13-11(14)8-1-2-10(12-7-8)16-9-3-5-15-6-4-9/h1-2,7,9H,3-6H2,(H,13,14)
(5)Std. InChIKey: OLOSQIMMFCSJHD-UHFFFAOYSA-N