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CAS No.: | 199339-71-4 |
---|---|
Name: | 4-hydroxy-benzo[b]thiophene-7-carboxaldehyde |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H6O2S |
Molecular Weight: | 178.211 |
Synonyms: | 4-Hydroxy-benzo[b]thiophene-7-carboxaldehyde; |
Density: | 1.447 g/cm3 |
Boiling Point: | 372.8 °C at 760 mmHg |
Flash Point: | 179.2 °C |
PSA: | 65.54000 |
LogP: | 2.41940 |
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The Benzo[b]thiophene-7-carboxaldehyde,4-hydroxy-, with the CAS registry number 199339-71-4, is also known as 4-Hydroxy-benzo[b]thiophene-7-carboxaldehyde. This chemical's molecular formula is C9H6O2S and molecular weight is 178.2077. What's more, its systematic name is called 4-Hydroxy-1-benzothiophene-7-carbaldehyde.
Physical properties about Benzo[b]thiophene-7-carboxaldehyde,4-hydroxy- are: (1)ACD/LogP: 3.55; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 268.17; (6)ACD/BCF (pH 7.4): 32.25; (7)ACD/KOC (pH 5.5): 1852.27; (8)ACD/KOC (pH 7.4): 222.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.769; (14)Molar Refractivity: 51.11 cm3; (15)Molar Volume: 123.1 cm3; (16)Polarizability: 20.26×10-24 cm3; (17)Surface Tension: 68.5 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 179.2 °C; (20)Enthalpy of Vaporization: 64.43 kJ/mol; (21)Boiling Point: 372.8 °C at 760 mmHg; (22)Vapour Pressure: 4.38E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2ccc(O)c1c2scc1
(2) InChI: InChI=1/C9H6O2S/c10-5-6-1-2-8(11)7-3-4-12-9(6)7/h1-5,11H
(3) InChIKey: JXQGDDMZTWHASG-UHFFFAOYAC