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Cas Database |
| Name |
9H-Xanthen-9-one, 4-methoxy- |
EINECS | N/A |
| CAS No. | 6702-58-5 | Density | 1.273 g/cm3 |
| PSA | 39.44000 | LogP | 2.95480 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H10O3 | Boiling Point | 388.2 °C at 760 mmHg |
| Molecular Weight | 226.23 | Flash Point | 180.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Xanthen-9-one,4-methoxy- (6CI,7CI,8CI);Xanthone, 4-methoxy- (4CI);4-Methoxyxanthen-9-one;4-Methoxyxanthone;NSC 174571;NSC 661739;4-methoxy-9H-xanthan-9-one; |
Article Data | 25 |
9H-Xanthen-9-one, 4-methoxy- Specification
This chemical is called 9H-Xanthen-9-one, 4-methoxy-, and its systematic name is 4-methoxy-9H-xanthen-9-one. With the molecular formula of C14H10O3, its molecular weight is 226.23. The CAS registry number of this chemical is 6702-58-5.
Other characteristics of the 9H-Xanthen-9-one, 4-methoxy- can be summarised as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 62.2 cm3; (9)Molar Volume: 177.6 cm3; (10)Polarizability: 24.66×10-24cm3; (11)Surface Tension: 48.4 dyne/cm; (12)Density: 1.273 g/cm3; (13)Flash Point: 180.1 °C; (14)Enthalpy of Vaporization: 63.74 kJ/mol; (15)Boiling Point: 388.2 °C at 760 mmHg; (16)Vapour Pressure: 3.12E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1c3ccccc3Oc2c1cccc2OC
2.InChI: InChI=1/C14H10O3/c1-16-12-8-4-6-10-13(15)9-5-2-3-7-11(9)17-14(10)12/h2-8H,1H3
3.InChIKey: SYEHHMRXODULBY-UHFFFAOYAU
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