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386704-10-5

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Basic Information
CAS No.: 386704-10-5
Name: 7-Hydroxy-4-pyridin-2-ylcoumarin
Molecular Structure:
Molecular Structure of 386704-10-5 (7-Hydroxy-4-pyridin-2-ylcoumarin)
Formula: C14H9NO3
Molecular Weight: 239.2262
Synonyms: 7-hydroxy-4-(2-pyridyl)chromen-2-one;7-hydroxy-4-(2-pyridyl)coumarin;7-hydroxy-4(2-pyridinyl)coumarin;7-Hydroxy-4-(pyridin-2-yl)coumarin;
Density: 1.399 g/cm3
Melting Point: >250(dec.)
Boiling Point: 489.7 °C at 760 mmHg
Flash Point: 249.9 °C
Hazard Symbols: IrritantXi
PSA: 63.33000
LogP: 2.56060
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Specification

The 2H-1-Benzopyran-2-one,7-hydroxy-4-(2-pyridinyl)- is an organic compound with the formula C14H9NO3. The systematic name of this chemical is 7-hydroxy-4-pyridin-2-yl-2H-chromen-2-one. With the CAS registry number 386704-10-5, it is also named as 7-Hydroxy-4(2-pyridinyl)coumarin.

Physical properties about 2H-1-Benzopyran-2-one,7-hydroxy-4-(2-pyridinyl)- are: (1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 52.2; (5)ACD/BCF (pH 7.4): 26.63; (6)ACD/KOC (pH 5.5): 575.5; (7)ACD/KOC (pH 7.4): 293.62; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 48.42 Å2; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 64.17 cm3; (14)Molar Volume: 170.9 cm3; (15)Polarizability: 25.44×10-24cm3; (16)Surface Tension: 65.6 dyne/cm; (17)Density: 1.399 g/cm3; (18)Flash Point: 249.9 °C; (19)Enthalpy of Vaporization: 78.48 kJ/mol; (20)Boiling Point: 489.7 °C at 760 mmHg; (21)Vapour Pressure: 3.26E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(O)ccc1\C(=C\2)c3ncccc3
(2)InChI: InChI=1/C14H9NO3/c16-9-4-5-10-11(12-3-1-2-6-15-12)8-14(17)18-13(10)7-9/h1-8,16H
(3)InChIKey: WJXWVAVFUWNSBN-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H9NO3/c16-9-4-5-10-11(12-3-1-2-6-15-12)8-14(17)18-13(10)7-9/h1-8,16H
(5)Std. InChIKey: WJXWVAVFUWNSBN-UHFFFAOYSA-N