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42203-03-2

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Basic Information
CAS No.: 42203-03-2
Name: 1-(2-Pyridinyl)-1-hexanone
Article Data: 8
Molecular Structure:
Molecular Structure of 42203-03-2 (1-(2-Pyridinyl)-1-hexanone)
Formula: C11H15NO
Molecular Weight: 177.2429
Synonyms: Pentyl 2-pyridyl ketone;
Density: 0.983 g/cm3
Boiling Point: 266.5 °C at 760 mmHg
Flash Point: 122.1 °C
PSA: 29.96000
LogP: 2.84460
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Specification

The 1-(2-Pyridinyl)-1-hexanone, with the CAS registry number of 42203-03-2, is also known as Pentyl 2-pyridyl ketone. This chemical's molecular formula is C11H15NO and molecular weight is 177.2429. What's more, its systematic name is 1-(Pyridin-2-yl)hexan-1-one.

Physical properties about 1-(2-Pyridinyl)-1-hexanone are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 111.17; (6)ACD/BCF (pH 7.4): 111.18; (7)ACD/KOC (pH 5.5): 1014.19; (8)ACD/KOC (pH 7.4): 1014.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 52.9 cm3; (15)Molar Volume: 180.2 cm3; (16)Surface Tension: 37.4 dyne/cm; (17)Density: 0.983 g/cm3; (18)Flash Point: 122.1 °C; (19)Enthalpy of Vaporization: 50.45 kJ/mol; (20)Boiling Point: 266.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0086 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ncccc1)CCCCC
(2) InChI: InChI=1/C11H15NO/c1-2-3-4-8-11(13)10-7-5-6-9-12-10/h5-7,9H,2-4,8H2,1H3
(3) InChIKey: ZGKVJWNKQCIUSP-UHFFFAOYAI