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| CAS No.: | 39497-06-8 |
|---|---|
| Name: | METHYL 9H-XANTHENE-9-CARBOXYLATE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C15H12O3 |
| Molecular Weight: | 240.258 |
| Synonyms: | Xanthene-9-carboxylicacid, methyl ester (6CI);Methyl xanthanoate;Methyl xanthene-9-carboxylate; |
| Density: | 1.234 g/cm3 |
| Boiling Point: | 331.5 °C at 760 mmHg |
| Flash Point: | 136.8 °C |
| PSA: | 35.53000 |
| LogP: | 3.09720 |
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Specification
The 9H-Xanthene-9-carboxylicacid, methyl ester, with CAS registry number 39497-06-8, has the systematic name of methyl 9H-xanthene-9-carboxylate. Besides this, it is also called Methylxanthene-9-carboxylate,98%. And the chemical formula of this chemical is C15H12O3.
Physical properties of 9H-Xanthene-9-carboxylicacid, methyl ester: (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: 2; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 66.35 cm3; (9)Molar Volume: 194.7 cm3; (10)Polarizability: 26.3×10-24cm3; (11)Surface Tension: 46.4 dyne/cm; (12)Density: 1.233 g/cm3; (13)Flash Point: 136.8 °C; (14)Enthalpy of Vaporization: 57.42 kJ/mol; (15)Boiling Point: 331.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000155 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2c3c(Oc1c2cccc1)cccc3
(2)InChI: InChI=1/C15H12O3/c1-17-15(16)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3
(3)InChIKey: RFHABUQANXJNQS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H12O3/c1-17-15(16)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3
(5)Std. InChIKey: RFHABUQANXJNQS-UHFFFAOYSA-N