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| CAS No.: | 622864-56-6 |
|---|---|
| Name: | 5-Methoxy-1-benzothiophene-2-carbaldehyde |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H8O2S |
| Molecular Weight: | 192.2343 |
| Synonyms: | 6-Methoxybenzothiophene-2-carbaldehyde; |
| Density: | 1.293 g/cm3 |
| Boiling Point: | 343.412 °C at 760 mmHg |
| Flash Point: | 161.49 °C |
| PSA: | 54.54000 |
| LogP: | 2.72240 |
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Specification
The 5-Methoxy-1-benzothiophene-2-carbaldehyde, with the CAS registry number 622864-56-6, has systematic name 6-methoxybenzothiophene-2-carbaldehyde. Its molecular formula is C10H8O2S and its molecular weight is 192.2343.
Other characteristics of the 5-Methoxy-1-benzothiophene-2-carbaldehyde can be summarised as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.175; (4)ACD/LogD (pH 7.4): 2.175; (5)ACD/BCF (pH 5.5): 26.497; (6)ACD/BCF (pH 7.4): 26.497; (7)ACD/KOC (pH 5.5): 363.364; (8)ACD/KOC (pH 7.4): 363.364; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 55.911 cm3; (15)Molar Volume: 148.697 cm3; (16)Polarizability: 22.165×10-24cm3; (17)Surface Tension: 50.297 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 161.49 °C; (20)Enthalpy of Vaporization: 58.727 kJ/mol; (21)Boiling Point: 343.412 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1ccc2cc(sc2c1)C=O
2.InChI: InChI=1/C10H8O2S/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-6H,1H3
3.InChIKey: VHVRCXIIFVHBFI-UHFFFAOYAZ