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Cas Database |
| Name |
Ethyl 9H-xanthene-9-carboxylate |
EINECS | N/A |
| CAS No. | 7401-03-8 | Density | 1.144 g/cm3 |
| PSA | 35.53000 | LogP | 3.48730 |
| Solubility | N/A | Melting Point |
66-68 °C |
| Formula | C16H14O3 | Boiling Point | 629.302 °C at 760 mmHg |
| Molecular Weight | 254.285 | Flash Point | 348.398 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
9-Xanthenecarboxylicacid, ethyl- (3CI);Xanthene-9-carboxylic acid, ethyl ester (8CI);Ethylxanthene-9-carboxylate;NSC 37339; |
Article Data | 4 |
Ethyl 9H-xanthene-9-carboxylate Specification
The CAS register number of Ethyl 9H-xanthene-9-carboxylate is 7401-03-8. It also can be called as Xanthene-9-carboxylic acid ethyl ester and the IUPAC name about this chemical is ethyl 9H-xanthene-9-carboxylate.
Physical properties about Ethyl 9H-xanthene-9-carboxylate are: (1)ACD/LogP: 3.49; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 35.53 Å2; (5)Index of Refraction: 1.586; (6)Molar Refractivity: 70.98 cm3; (7)Molar Volume: 211.2 cm3; (8)Polarizability: 28.14x10-24cm3; (9)Surface Tension: 45.4 dyne/cm; (10)Enthalpy of Vaporization: 59.04 kJ/mol; (11)Boiling Point: 346.3 °C at 760 mmHg; (12)Vapour Pressure: 5.82E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2c3c(Oc1c2cccc1)cccc3
(2)InChI: InChI=1/C16H14O3/c1-2-18-16(17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3
(3)InChIKey: LFHPCJSHNRJCEY-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C16H14O3/c1-2-18-16(17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3
(5)Std. InChIKey: LFHPCJSHNRJCEY-UHFFFAOYSA-N
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