7-Hydroxy-4'-nitroisoflavone supplier

Name
4H-1-BENZOPYRAN-4-ONE
EINECS
CAS No. 15485-80-0
Article Data12
CAS DataBase
Density 1.494 g/cm³
Solubility Slightly soluble in water.
Melting Point 290-292℃
Formula C₁₅H₉NO₅
Boiling Point 530.788 °C at 760 mmHg
Molecular Weight 283.24
Flash Point 274.811 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoflavone,7-hydroxy-4'-nitro- (6CI,7CI,8CI);
PSA 96.26000
LogP 3.59700

7-Hydroxy-4'-nitroisoflavone Specification

The 7-Hydroxy-4'-nitroisoflavone, with CAS registry number of 15485-80-0, has the systematic name of 7-hydroxy-3-(4-nitrophenyl)-4H-chromen-4-one. And its IUPAC name is the same. Besides this, it is also named 4H-1-benzopyran-4-one, 7-hydroxy-3-(4-nitrophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 81.35 Å²; (7)Index of Refraction: 1.692; (8)Molar Refractivity: 72.63 cm³; (9)Molar Volume: 189.5 cm³; (10)Polarizability: 28.79×10^-24cm³; (11)Surface Tension: 69.8 dyne/cm; (12)Enthalpy of Vaporization: 83.64 kJ/mol; (13)Vapour Pressure: 6.98E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3ccc(C=1C(=O)c2c(OC=1)cc(O)cc2)cc3
(2)InChI: InChI=1/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H
(3)InChIKey: CEESSYSSRMOMDE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H
(5)Std. InChIKey: CEESSYSSRMOMDE-UHFFFAOYSA-N

Product Name

4H-1-BENZOPYRAN-4-ONE

7-Hydroxy-4'-nitroisoflavone Specification

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