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749902-11-2

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Basic Information
CAS No.: 749902-11-2
Name: 2-(3-METHOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 749902-11-2 (2-(3-METHOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE)
Formula: C11H9NO2S
Molecular Weight: 219.264
Synonyms: 2-(3-Methoxy-phenyl)-thiazole-4-carbaldehyde;2-(3-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde;
Density: 1.267 g/cm3
Boiling Point: 397.668 °C at 760 mmHg
Flash Point: 194.303 °C
PSA: 67.43000
LogP: 2.63120
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Specification

The CAS register number of 4-Thiazolecarboxaldehyde,2-(3-methoxyphenyl)- is 749902-11-2. It also can be called as 2-(3-Methoxy-phenyl)-thiazole-4-carbaldehyde and the IUPAC name about this chemical is 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde. The molecular formula about this chemical is C11H9NO2S and the molecular weight is 219.26.

Physical properties about 4-Thiazolecarboxaldehyde,2-(3-methoxyphenyl)- are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 2.679; (3)ACD/LogD (pH 7.4): 2.679; (4)ACD/BCF (pH 5.5): 64.017; (5)ACD/BCF (pH 7.4): 64.018; (6)ACD/KOC (pH 5.5): 683.219; (7)ACD/KOC (pH 7.4): 683.222; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 60.752 cm3; (13)Molar Volume: 173.09 cm3; (14)Polarizability: 24.084x10-24cm3; (15)Surface Tension: 49.738 dyne/cm; (16)Density: 1.267 g/cm3; (17)Flash Point: 194.303 °C; (18)Enthalpy of Vaporization: 64.814 kJ/mol; (19)Boiling Point: 397.668 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1)c2nc(cs2)C=O
(2)InChI: InChI=1/C11H9NO2S/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
(3)InChIKey: AZBYGUZCRCHMPF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H9NO2S/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
(5)Std. InChIKey: AZBYGUZCRCHMPF-UHFFFAOYSA-N