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CAS No.: | 56441-97-5 |
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Name: | METHYL 4-BENZYLOXY-3-METHOXYBENZOATE |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C16H16O4 |
Molecular Weight: | 272.301 |
Synonyms: | 4-Benzyloxy-3-methoxybenzoic acid methyl ester;Methyl 4-(benzyloxy)-3-methoxybenzoate;Methyl 3-methoxy-4-(benzyloxy)benzoate; |
Density: | 1.154 g/cm3 |
Boiling Point: | 400.12 °C at 760 mmHg |
Flash Point: | 176.641 °C |
PSA: | 44.76000 |
LogP: | 3.06080 |
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The Methyl 4-benzyloxy-3-methoxybenzoate, with the CAS registry number 56441-97-5, is also known as 4-Benzyloxy-3-methoxybenzoic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C16H16O4 and molecular weight is 272.30. What's more, its systematic name is Methyl 4-(benzyloxy)-3-methoxybenzoate.
Physical properties of Methyl 4-benzyloxy-3-methoxybenzoate are: (1)ACD/LogP: 3.762; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.76; (4)ACD/LogD (pH 7.4): 3.76; (5)ACD/BCF (pH 5.5): 425.66; (6)ACD/BCF (pH 7.4): 425.66; (7)ACD/KOC (pH 5.5): 2651.49; (8)ACD/KOC (pH 7.4): 2651.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 75.871 cm3; (15)Molar Volume: 236.033 cm3; (16)Polarizability: 30.077×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 176.641 °C; (20)Enthalpy of Vaporization: 65.094 kJ/mol; (21)Boiling Point: 400.12 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2cc(OC)c(OCc1ccccc1)cc2
(2)Std. InChI: InChI=1S/C16H16O4/c1-18-15-10-13(16(17)19-2)8-9-14(15)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
(3)Std. InChIKey: FPGZHXRPIFVQOL-UHFFFAOYSA-N