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53020-47-6

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Basic Information
CAS No.: 53020-47-6
Name: 2-Benzofurancarbonitrile, 7-hydroxy-
Molecular Structure:
Molecular Structure of 53020-47-6 (2-Benzofurancarbonitrile, 7-hydroxy-)
Formula: C9H5NO2
Molecular Weight: 159.144
Synonyms: NSC171308;7-Hydroxy-1-benzofuran-2-carbonitrile;
Density: 1.39 g/cm3
Boiling Point: 341.9 °C at 760 mmHg
Flash Point: 160.6 °C
PSA: 57.16000
LogP: 2.01008
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Specification

The 2-Benzofurancarbonitrile,7-hydroxy- has the CAS registry number 53020-47-6. This chemical's molecular formula is C9H5NO2 and molecular weight is 159.14. What's more, its systematic name is 7-hydroxy-1-benzofuran-2-carbonitrile.

Physical properties of 2-Benzofurancarbonitrile,7-hydroxy- are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.16 Å2; (7)Index of Refraction: 1.678; (8)Molar Refractivity: 42.88 cm3; (9)Molar Volume: 113.7 cm3; (10)Polarizability: 17×10-24cm3; (11)Surface Tension: 69.4 dyne/cm; (12)Density: 1.39 g/cm3; (13)Flash Point: 160.6 °C; (14)Enthalpy of Vaporization: 60.88 kJ/mol; (15)Boiling Point: 341.9 °C at 760 mmHg; (16)Vapour Pressure: 3.94E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)O)OC(=C2)C#N
(2)InChI: InChI=1S/C9H5NO2/c10-5-7-4-6-2-1-3-8(11)9(6)12-7/h1-4,11H
(3)InChIKey: UKRSCBFPJQDXLY-UHFFFAOYSA-N