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110464-72-7

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Basic Information
CAS No.: 110464-72-7
Name: 4-methoxy-3,5-dimethylpicolinaldehyde
Article Data: 6
Molecular Structure:
Molecular Structure of 110464-72-7 (4-methoxy-3,5-dimethylpicolinaldehyde)
Formula: C9H11NO2
Molecular Weight: 165.191
Synonyms: 4-Methoxy-3,5-dimethylpicolinaldehyde;4-Methoxy-3,5-dimethylpyridine-2-carbaldehyde;
EINECS: 604-604-1
Density: 1.094 g/cm3
Boiling Point: 271.4 °C at 760 mmHg
Flash Point: 117.9 °C
PSA: 39.19000
LogP: 1.51950
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Specification

The 2-Pyridinecarboxaldehyde, 4-methoxy-3,5-dimethyl- is an organic compound with the formula C9H11NO2. The IUPAC name of this chemical is 4-Methoxy-3,5-dimethylpyridine-2-carbaldehyde. The CAS registry number of this chemical is 110464-72-7. Besides, its molecular weight is 165.191.

The physical properties of 2-Pyridinecarboxaldehyde, 4-methoxy-3,5-dimethyl- are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 4.55; (5)ACD/BCF (pH 7.4): 11.75; (6)ACD/KOC (pH 5.5): 78.14; (7)ACD/KOC (pH 7.4): 201.79; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 47.42 cm3; (13)Molar Volume: 150.8 cm3; (14)Polarizability: 18.8×10-24 cm3; (15)Surface Tension: 39.5 dyne/cm; (16)Density: 1.094 g/cm3; (17)Flash Point: 117.9 °C; (18)Enthalpy of Vaporization: 50.96 kJ/mol; (19)Boiling Point: 271.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00648 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(OC)c(C)cnc1C=O
(2)InChI: InChI=1/C9H11NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4-5H,1-3H3
(3)InChIKey: NDJIJFXLFOPISB-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H11NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4-5H,1-3H3
(5)Std. InChIKey: NDJIJFXLFOPISB-UHFFFAOYSA-N