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Cas Database |
| Name |
4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl- |
EINECS | N/A |
| CAS No. | 75187-56-3 | Density | 1.242 g/cm3 |
| PSA | 48.67000 | LogP | 3.47720 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H14O4 | Boiling Point | 458.9 °C at 760 mmHg |
| Molecular Weight | 282.29066 | Flash Point | 205.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7,8-Dimethoxy-2-phenylchromen-4-one; |
Article Data | 2 |
4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl- Specification
The 4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl-, with the CAS registry number of 75187-56-3, is also known as 7,8-Dimethoxy-2-phenylchromen-4-one. Its molecular formula is C17H14O4 and molecular weight is 282.29066. What's more, its systematic name is 7,8-Dimethoxy-2-phenyl-4H-chromen-4-one.
Physical properties about the 4H-1-Benzopyran-4-one,7,8-dimethoxy-3-phenyl- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 77.56 cm3; (9)Molar Volume: 227.2 cm3; (10)Surface Tension: 46.3 dyne/cm; (11)Density: 1.242 g/cm3; (12)Flash Point: 205.2 °C; (13)Enthalpy of Vaporization: 71.93 kJ/mol; (14)Boiling Point: 458.9 °C at 760 mmHg; (15)Vapour Pressure: 1.32E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)c2ccccc2)c(OC)c(OC)cc3
(2) InChI: InChI=1/C17H14O4/c1-19-14-9-8-12-13(18)10-15(11-6-4-3-5-7-11)21-16(12)17(14)20-2/h3-10H,1-2H3
(3) InChIKey: KJRQQECDVUXBCO-UHFFFAOYAL
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