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168072-32-0

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Basic Information
CAS No.: 168072-32-0
Name: 3-Pyridinecarboxaldehyde,2,4-dimethyl-(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 168072-32-0 (3-Pyridinecarboxaldehyde,2,4-dimethyl-(9CI))
Formula: C8H9NO
Molecular Weight: 135.166
Synonyms: 2,4-Dimethylnicotinaldehyde;2,4-Dimethylpyridine-3-carboxaldehyde;
Density: 1.065 g/cm3
Boiling Point: 238.9 °C at 760 mmHg
Flash Point: 104.3 °C
PSA: 29.96000
LogP: 1.51090
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Specification

The 3-Pyridinecarboxaldehyde,2,4-dimethyl- is an organic compound with the formula C8H9NO. The systematic name of this chemical is 2,4-Dimethylpyridine-3-carbaldehyde. With the CAS registry number 168072-32-0, it is also named as 2,4-Dimethylnicotinaldehyde. The product's category is Pyridine. Besides, its molecular weight is 135.165.

Physical properties about 3-Pyridinecarboxaldehyde,2,4-dimethyl- are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 3.17; (5)ACD/BCF (pH 7.4): 3.81; (6)ACD/KOC (pH 5.5): 75.5; (7)ACD/KOC (pH 7.4): 90.54; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 40.74 cm3; (13)Molar Volume: 126.8 cm3; (14)Polarizability: 16.15×10-24 cm3; (15)Surface Tension: 41.3 dyne/cm; (16)Density: 1.065 g/cm3; (17)Flash Point: 104.3 °C; (18)Enthalpy of Vaporization: 47.58 kJ/mol; (19)Boiling Point: 238.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0412 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H9NO/c1-6-3-4-9-7(2)8(6)5-10/h3-5H,1-2H3
(2)InChIKey: CRDOBBKBXSEULR-UHFFFAOYAR
(3)Std. InChI: InChI=1S/C8H9NO/c1-6-3-4-9-7(2)8(6)5-10/h3-5H,1-2H3
(4)Std. InChIKey: CRDOBBKBXSEULR-UHFFFAOYSA-N