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| CAS No.: | 1151-15-1 |
|---|---|
| Name: | 2-(4-METHOXY-BENZOYL)-BENZOIC ACID |
| Molecular Structure: | |
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|
|
| Formula: | C15H12O4 |
| Molecular Weight: | 256.258 |
| Synonyms: | Benzoicacid, o-(p-anisoyl)- (6CI,7CI,8CI);2-(4-Methoxybenzoyl)benzoic acid;4'-Methoxy-2-benzoylbenzoic acid;NSC 28925;S 23/46;o-(4-Methoxybenzoyl)benzoic acid;o-(p-Anisoyl)benzoic acid; |
| Density: | 1.255 g/cm3 |
| Melting Point: | 147-148 °C |
| Boiling Point: | 477.6 °C at 760 mmHg |
| Flash Point: | 183.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 63.60000 |
| LogP: | 2.62440 |
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Specification
The Benzoic acid,2-(4-methoxybenzoyl)- is an organic compound with the formula C15H12O4. The IUPAC name of this chemical is 2-(4-methoxybenzoyl)benzoic acid. With the CAS registry number 1151-15-1, it is also named as 4'-(Hydroxymethyl)benzophenone-2-carboxylic acid.
Physical properties about Benzoic acid,2-(4-methoxybenzoyl)- are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 0.24; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.48; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 69.65 cm3; (13)Molar Volume: 204 cm3; (14)Polarizability: 27.61×10-24cm3; (15)Surface Tension: 51.1 dyne/cm; (16)Density: 1.255 g/cm3; (17)Flash Point: 183.5 °C; (18)Enthalpy of Vaporization: 78.12 kJ/mol; (19)Boiling Point: 477.6 °C at 760 mmHg; (20)Vapour Pressure: 6.25E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccccc2C(=O)c1ccc(OC)cc1
(2)InChI: InChI=1/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
(3)InChIKey: UIUCGMLLTRXRBF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
(5)Std. InChIKey: UIUCGMLLTRXRBF-UHFFFAOYSA-N