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Benzo[b]thiophene-7-carboxaldehyde,4-hydroxy-

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Name

Benzo[b]thiophene-7-carboxaldehyde,4-hydroxy-

EINECS N/A
CAS No. 199339-71-4 Density 1.447 g/cm3
PSA 65.54000 LogP 2.41940
Solubility N/A Melting Point N/A
Formula C9H6O2S Boiling Point 372.8 °C at 760 mmHg
Molecular Weight 178.211 Flash Point 179.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 199339-71-4 (4-hydroxy-benzo[b]thiophene-7-carboxaldehyde) Hazard Symbols N/A
Synonyms

4-Hydroxy-benzo[b]thiophene-7-carboxaldehyde;

Article Data 5

Benzo[b]thiophene-7-carboxaldehyde,4-hydroxy- Specification

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

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