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83282-36-4

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Basic Information
CAS No.: 83282-36-4
Name: 4-ISOPROPYLPICOLINIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 83282-36-4 (4-ISOPROPYLPICOLINIC ACID)
Formula: C9H11NO2
Molecular Weight: 165.192
Synonyms: 4-Isopropyl-2-pyridinecarboxylicacid;
Density: 1.137 g/cm3
Boiling Point: 313 °C at 760 mmHg
Flash Point: 143.1 °C
PSA: 50.19000
LogP: 1.90320
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Specification

The 2-Pyridinecarboxylicacid, 4-(1-methylethyl)- is an organic compound with the formula C9H11NO2. The systematic name of this chemical is 4-(1-Methylethyl)pyridine-2-carboxylic acid. With the CAS registry number 83282-36-4, it is also named as 4-Isopropylpyridine-2-carboxylic acid. The product's category is Isopropyl. Besides, its molecular weight is 165.19.

The physical properties of 2-Pyridinecarboxylicacid, 4-(1-methylethyl)- are: (1)ACD/LogP: 1.24; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.35; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 50.19 Å2; (10)Index of Refraction: 1.538; (11)Molar Refractivity: 45.45 cm3; (12)Molar Volume: 145.2 cm3; (13)Polarizability: 18.02×10-24 cm3; (14)Surface Tension: 46.1 dyne/cm; (15)Density: 1.137 g/cm3; (16)Flash Point: 143.1 °C; (17)Enthalpy of Vaporization: 58.49 kJ/mol; (18)Boiling Point: 313 °C at 760 mmHg; (19)Vapour Pressure: 0.000218 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccn1)C(C)C
(2)InChI: InChI=1/C9H11NO2/c1-6(2)7-3-4-10-8(5-7)9(11)12/h3-6H,1-2H3,(H,11,12)
(3)InChIKey: GTEKHQRDHJAAAR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H11NO2/c1-6(2)7-3-4-10-8(5-7)9(11)12/h3-6H,1-2H3,(H,11,12)
(5)Std. InChIKey: GTEKHQRDHJAAAR-UHFFFAOYSA-N