Benzoic acid,4-(4-methoxybenzoyl)-, methyl ester supplier

Name
4-(4-METHOXY-BENZOYL)-BENZOIC ACIDMETHYL ESTER
EINECS
CAS No. 71616-84-7
Article Data16
CAS DataBase
Density 1.177 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₄O₄
Boiling Point 424.2 °C at 760 mmHg
Molecular Weight 270.285
Flash Point 188.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Methoxybenzoyl)benzoicacid methyl ester;NSC 86530;Methyl 4-(4-methoxybenzoyl)benzoate;
PSA 52.60000
LogP 2.71280

Benzoic acid,4-(4-methoxybenzoyl)-, methyl ester Specification

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^-24cm³; (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

Product Name

4-(4-METHOXY-BENZOYL)-BENZOIC ACIDMETHYL ESTER

Benzoic acid,4-(4-methoxybenzoyl)-, methyl ester Specification

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