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7401-03-8

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Basic Information
CAS No.: 7401-03-8
Name: Ethyl 9H-xanthene-9-carboxylate
Article Data: 4
Molecular Structure:
Molecular Structure of 7401-03-8 (Ethyl 9H-xanthene-9-carboxylate)
Formula: C16H14O3
Molecular Weight: 254.285
Synonyms: 9-Xanthenecarboxylicacid, ethyl- (3CI);Xanthene-9-carboxylic acid, ethyl ester (8CI);Ethylxanthene-9-carboxylate;NSC 37339;
Density: 1.144 g/cm3
Melting Point: 66-68 °C
Boiling Point: 629.302 °C at 760 mmHg
Flash Point: 348.398 °C
PSA: 35.53000
LogP: 3.48730
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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