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CAS No.: | 78303-09-0 |
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Name: | Benzoicacid, 3-(4-methylphenoxy)-, methyl ester |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C15H14O3 |
Molecular Weight: | 242.274 |
Synonyms: | Methyl 3-(4-methylphenoxy)benzoate;Methyl 3-(p-tolyloxy)benzoate; |
Density: | 1.131 g/cm3 |
Boiling Point: | 348.45 °C at 760 mmHg |
Flash Point: | 144.78 °C |
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The Benzoicacid, 3-(4-methylphenoxy)-, methyl ester, with the CAS registry number 78303-09-0, is also known as Methyl 3-(p-tolyloxy)benzoate. This chemical's molecular formula is C15H14O3 and molecular weight is 242.27. What's more, its systematic name is Methyl 3-(4-methylphenoxy)benzoate.
Physical properties of Benzoicacid, 3-(4-methylphenoxy)-, methyl ester are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.304; (4)ACD/LogD (pH 7.4): 4.304; (5)ACD/BCF (pH 5.5): 1099.555; (6)ACD/BCF (pH 7.4): 1099.555; (7)ACD/KOC (pH 5.5): 5230.013; (8)ACD/KOC (pH 7.4): 5230.013; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 69.295 cm3; (15)Molar Volume: 214.188 cm3; (16)Polarizability: 27.471×10-24 cm3; (17)Surface Tension: 40.669 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 144.78 °C; (20)Enthalpy of Vaporization: 59.284 kJ/mol; (21)Boiling Point: 348.45 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)Oc2cccc(c2)C(=O)OC
(2)InChI: InChI=1/C15H14O3/c1-11-6-8-13(9-7-11)18-14-5-3-4-12(10-14)15(16)17-2/h3-10H,1-2H3
(3)InChIKey: DPSCCQUGLOXIEJ-UHFFFAOYSA-N