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42205-74-3

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Basic Information
CAS No.: 42205-74-3
Name: 4-TERT-BUTYLPICOLINIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 42205-74-3 (4-TERT-BUTYLPICOLINIC ACID)
Formula: C10H13NO2
Molecular Weight: 179.22
Synonyms: 4-Tert-Butylpyridine-2-carboxylic acid;
Density: 1.107 g/cm3
Boiling Point: 321.3 °C at 760 mmHg
Flash Point: 148.1 °C
PSA: 50.19000
LogP: 2.07730
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Specification

The 2-Pyridinecarboxylicacid, 4-(1,1-dimethylethyl)- is an organic compound with the formula C10H13NO2. The systematic name of this chemical is 4-Tert-butylpyridine-2-carboxylic acid. The CAS registry number of this chemical is 42205-74-3. Besides, its molecular weight is 179.22.

The physical properties of 2-Pyridinecarboxylicacid, 4-(1,1-dimethylethyl)- are: (1)ACD/LogP: 1.59; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.27; (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: 1.525; (11)Molar Refractivity: 49.66 cm3; (12)Molar Volume: 161.8 cm3; (13)Polarizability: 19.68×10-24 cm3; (14)Surface Tension: 41.7 dyne/cm; (15)Density: 1.107 g/cm3; (16)Flash Point: 148.1 °C; (17)Enthalpy of Vaporization: 59.45 kJ/mol; (18)Boiling Point: 321.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000124 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccn1)C(C)(C)C
(2)InChI: InChI=1/C10H13NO2/c1-10(2,3)7-4-5-11-8(6-7)9(12)13/h4-6H,1-3H3,(H,12,13)
(3)InChIKey: HDKBJZCKLMQKKD-UHFFFAOYAA