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56704-25-7

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Basic Information
CAS No.: 56704-25-7
Name: 3-Acetyl-2,4,6-trimethylpyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 56704-25-7 (3-Acetyl-2,4,6-trimethylpyridine)
Formula: C10H13NO
Molecular Weight: 163.219
Synonyms: NSC 108230;2,4,6-Trimethyl-3-acetylpyridine;
Density: 1.001g/cm3
Boiling Point: 263.4 °C at 760 mmHg
Flash Point: 120.1 °C
PSA: 29.96000
LogP: 2.20940
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Specification

The Ethanone,1-(2,4,6-trimethyl-3-pyridinyl)-, with CAS registry number 56704-25-7, belongs to the following product categories: (1)Acetylgroup; (2)Pyridine. It has the systematic name of 1-(2,4,6-trimethylpyridin-3-yl)ethanone. And the chemical formula of this chemical is C10H13NO.

Physical properties of Ethanone,1-(2,4,6-trimethyl-3-pyridinyl)-: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.511; (8)Molar Refractivity: 48.84 cm3; (9)Molar Volume: 163 cm3; (10)Polarizability: 19.36×10-24cm3; (11)Surface Tension: 36 dyne/cm; (12)Density: 1.001 g/cm3; (13)Flash Point: 120.1 °C; (14)Enthalpy of Vaporization: 50.12 kJ/mol; (15)Boiling Point: 263.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(nc1C)C)C)C
(2)InChI: InChI=1/C10H13NO/c1-6-5-7(2)11-8(3)10(6)9(4)12/h5H,1-4H3
(3)InChIKey: RKNKTACHKMTWTD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H13NO/c1-6-5-7(2)11-8(3)10(6)9(4)12/h5H,1-4H3
(5)Std. InChIKey: RKNKTACHKMTWTD-UHFFFAOYSA-N