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5490-92-6

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Basic Information
CAS No.: 5490-92-6
Name: 9H-Xanthene-9-methanol
Article Data: 9
Molecular Structure:
Molecular Structure of 5490-92-6 (9H-Xanthene-9-methanol)
Formula: C14H12O2
Molecular Weight: 212.248
Synonyms: 9H-XANTHENE-9-METHANOL
Density: 1.208g/cm3
Melting Point: 67-68 °C(Solv: ligroine (8032-32-4))
Boiling Point: 338 °C at 760 mmHg
Flash Point: 151.1 °C
PSA: 29.46000
LogP: 2.91650
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Specification

The 9H-xanthene-9-methanol, with CAS registry number 5490-92-6, has the systematic name of 9H-xanthen-9-ylmethanol. Its molecular weight is 212.24. And the chemical formula of this chemical is C14H12O2.

Physical properties of 9H-Xanthene-9-methanol: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 61.62 cm3; (9)Molar Volume: 175.6 cm3; (10)Polarizability: 24.43×10-24cm3; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.208 g/cm3; (13)Flash Point: 151.1 °C; (14)Enthalpy of Vaporization: 61.35 kJ/mol; (15)Boiling Point: 338 °C at 760 mmHg; (16)Vapour Pressure: 3.95E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC2c3c(Oc1c2cccc1)cccc3
(2)InChI: InChI=1/C14H12O2/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12,15H,9H2
(3)InChIKey: XODHGYGQZLHGJZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H12O2/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12,15H,9H2
(5)Std. InChIKey: XODHGYGQZLHGJZ-UHFFFAOYSA-N