2-Pyridinecarboxylicacid, 6-acetyl- supplier

Name
6-Acetylpyridine-2-carboxylic acid
EINECS
CAS No. 122637-39-2
Article Data6
CAS DataBase
Density 1.303 g/cm³
Solubility Slightly soluble in water.
Melting Point 137℃
Formula C₈H₇NO₃
Boiling Point 360.4 °C at 760 mmHg
Molecular Weight 165.148
Flash Point 171.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Acetylpyridine-2-carboxylic acid;2-Pyridinecarboxylic acid, 6-acetyl-;
PSA 67.26000
LogP 0.98240

2-Pyridinecarboxylicacid, 6-acetyl- Specification

The 2-Pyridinecarboxylicacid, 6-acetyl- is an organic compound with the formula C₈H₇NO₃. The IUPAC name of this chemical is 6-Acetylpyridine-2-carboxylic acid. With the CAS registry number 122637-39-2, it is also named as 6-Acetyl-2-pyridinecarboxylic acid. The categories of the product are Glycinescaffold and Acetylgroup. Besides, its molecular weight is 165.14608.

The physical properties of 2-Pyridinecarboxylicacid, 6-acetyl- are: (1)ACD/LogP: 0.27; (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: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 67.26 Å²; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 41.3 cm³; (12)Molar Volume: 126.7 cm³; (13)Polarizability: 16.37×10^-24 cm³; (14)Surface Tension: 57.3 dyne/cm; (15)Density: 1.303 g/cm³; (16)Flash Point: 171.8 °C; (17)Enthalpy of Vaporization: 63.95 kJ/mol; (18)Boiling Point: 360.4 °C at 760 mmHg; (19)Vapour Pressure: 8.01E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc(n1)C(C)=O
(2)InChI: InChI=1/C8H7NO3/c1-5(10)6-3-2-4-7(9-6)8(11)12/h2-4H,1H3,(H,11,12)
(3)InChIKey: SMFINMWLJMPOES-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H7NO3/c1-5(10)6-3-2-4-7(9-6)8(11)12/h2-4H,1H3,(H,11,12)
(5)Std. InChIKey: SMFINMWLJMPOES-UHFFFAOYSA-N

Product Name

6-Acetylpyridine-2-carboxylic acid

2-Pyridinecarboxylicacid, 6-acetyl- Specification

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