CAS No.4733-68-0,2-Pyridinecarboxylicacid,3,5-dimethyl-(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4733-68-0
Name:	2-Pyridinecarboxylicacid,3,5-dimethyl-(9CI)

Formula:	C₈H₉NO₂
Molecular Weight:	151.165
Synonyms:	Picolinicacid, 3,5-dimethyl- (6CI,8CI);3,5-Dimethyl-2-pyridinecarboxylic acid;3,5-Dimethylpicolinic acid;3,5-Lutidine-2-carboxylic acid;
Density:	1.183 g/cm³
Boiling Point:	325.413 °C at 760 mmHg
Flash Point:	150.605 °C
PSA:	50.19000
LogP:	1.39660

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Specification

The 2-Pyridinecarboxylicacid, 3,5-dimethyl- is an organic compound with the formula C₈H₉NO₂. The systematic name of this chemical is 3,5-Dimethylpyridine-2-carboxylic acid. With the CAS registry number 4733-68-0, it is also named as 3,5-Dimethylpicolinic acid, 2-Carboxy-3,5-dimethylpyridine. The product's categories are Carboxylicacid; Glycinescaffold. Besides, its molecular weight is 151.164.

The physical properties of 2-Pyridinecarboxylicacid, 3,5-dimethyl- are: (1)ACD/LogP: 1.18; (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: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.19 Å²; (10)Index of Refraction: 1.554; (11)Molar Refractivity: 40.924 cm³; (12)Molar Volume: 127.737 cm³; (13)Polarizability: 16.224×10^-24 cm³; (14)Surface Tension: 49.511 dyne/cm; (15)Density: 1.183 g/cm³; (16)Flash Point: 150.605 °C; (17)Enthalpy of Vaporization: 59.91 kJ/mol; (18)Boiling Point: 325.413 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(C)cnc1C(=O)O
(2)InChI: InChI=1/C8H9NO2/c1-5-3-6(2)7(8(10)11)9-4-5/h3-4H,1-2H3,(H,10,11)
(3)InChIKey: CRQQOEOERUUJFO-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H9NO2/c1-5-3-6(2)7(8(10)11)9-4-5/h3-4H,1-2H3,(H,10,11)
(5)Std. InChIKey: CRQQOEOERUUJFO-UHFFFAOYSA-N