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Name |
Benzoic acid,4-(4-methoxybenzoyl)-, methyl ester |
EINECS | N/A |
CAS No. | 71616-84-7 | Density | 1.177 g/cm3 |
PSA | 52.60000 | LogP | 2.71280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H14O4 | Boiling Point | 424.2 °C at 760 mmHg |
Molecular Weight | 270.285 | Flash Point | 188.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-Methoxybenzoyl)benzoicacid methyl ester;NSC 86530;Methyl 4-(4-methoxybenzoyl)benzoate; |
Article Data | 16 |
The Benzoic acid,4-(4-methoxybenzoyl)-, methyl ester, with the CAS registry number 71616-84-7, is also known as 4-(4-Methoxybenzoyl)benzoicacid methyl ester. This chemical's molecular formula is C16H14O4 and molecular weight is 270.28. What's more, its systematic name is Methyl 4-(4-methoxybenzoyl)benzoate.
Physical properties of Benzoic acid,4-(4-methoxybenzoyl)-, methyl ester are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.562; (8)Molar Refractivity: 74.49 cm3; (9)Molar Volume: 229.4 cm3; (10)Polarizability: 29.53×10-24 cm3; (11)Surface Tension: 43.2 dyne/cm; (12)Density: 1.177 g/cm3; (13)Flash Point: 188.8 °C; (14)Enthalpy of Vaporization: 67.87 kJ/mol; (15)Boiling Point: 424.2 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2ccc(C(=O)c1ccc(OC)cc1)cc2
(2)InChI: InChI=1/C16H14O4/c1-19-14-9-7-12(8-10-14)15(17)11-3-5-13(6-4-11)16(18)20-2/h3-10H,1-2H3
(3)InChIKey: XISRQQMWSGOFJV-UHFFFAOYSA-N