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CAS No.: | 1216-44-0 |
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Name: | FLURENOL-METHYL ESTER |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H12O3 |
Molecular Weight: | 240.258 |
Synonyms: | Fluorene-9-carboxylicacid, 9-hydroxy-, methyl ester (6CI,7CI,8CI);9-Hydroxy-9-fluorenecarboxylicacid methyl ester;Methyl9-hydroxyfluorene-9-carboxylate;NSC 106351;Methyl 9-hydroxy-9H-fluorene-9-carboxylate;9H-fluorene-9-carboxylic acid, 9-hydroxy-, methyl ester;9-Hydroxy-9H-fluorene-9-carboxylic acid methyl ester;Fluorene-9-carboxylic acid, 9-hydroxy-, methyl ester;Flurenol-methyl ester;methyl 9-hydroxy-9H-fluorene-9-carboxylate;Methyl 9-hydroxyfluorene-9-carboxylate; |
Density: | 1.324 g/cm3 |
Melting Point: | 158-163°C |
Boiling Point: | 336.2 °C at 760 mmHg |
Flash Point: | 123.8 °C |
PSA: | 46.53000 |
LogP: | 2.07590 |
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The 9H-Fluorene-9-carboxylicacid, 9-hydroxy-, methyl ester, with the CAS registry number 1216-44-0, has the systematic name of methyl 9-hydroxy-9H-fluorene-9-carboxylate. It should be stored at 0-6°C. And the molecular formula of the chemical is C15H12O3.
The characteristics of 9H-Fluorene-9-carboxylicacid, 9-hydroxy-, methyl ester are as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 66.24 cm3; (9)Molar Volume: 181.3 cm3; (10)Polarizability: 26.26×10-24cm3; (11)Surface Tension: 59.3 dyne/cm; (12)Density: 1.324 g/cm3; (13)Flash Point: 123.8 °C; (14)Enthalpy of Vaporization: 61.15 kJ/mol; (15)Boiling Point: 336.2 °C at 760 mmHg; (16)Vapour Pressure: 4.46E-05 mmHg at 25°C.
Uses of 9H-Fluorene-9-carboxylicacid, 9-hydroxy-, methyl ester: It can react with acetyl chloride to produce 9-acetoxy-fluorene-9-carboxylic acid methyl ester. This reaction will need reagent CH2Cl2. And the yield is about 85%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C3(O)c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C15H12O3/c1-18-14(16)15(17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9,17H,1H3
(3)InChIKey: AJKQZRAAQMBNKM-UHFFFAOYAG