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64421-25-6

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Basic Information
CAS No.: 64421-25-6
Name: 2-methoxybenzyl benzoate
Article Data: 5
Molecular Structure:
Molecular Structure of 64421-25-6 (2-methoxybenzyl benzoate)
Formula: C15H14O3
Molecular Weight: 242.274
Synonyms: Benzenemethanol,2-methoxy-, benzoate (9CI);2-Methoxybenzyl benzoate;o-Methoxybenzyl benzoate;Benzenemethanol, 2-methoxy-, benzoate;o-Anisyl benzoate;AC1MJ496;CHEMBL498647;CID3085295;NP-012932;
Density: 1.142 g/cm3
Boiling Point: 354.2 °C at 760 mmHg
Flash Point: 147.5 °C
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Specification

The Benzenemethanol,2-methoxy-, 1-benzoate with CAS registry number of 64421-25-6 is also known as o-Methoxybenzyl benzoate. The IUPAC name is (2-Methoxyphenyl)methyl benzoate. In addition, the formula is C15H14O3 and the molecular weight is 242.27.

Physical properties about Benzenemethanol,2-methoxy-, 1-benzoate are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 527.4; (6)ACD/BCF (pH 7.4): 527.4; (7)ACD/KOC (pH 5.5): 3091.07; (8)ACD/KOC (pH 7.4): 3091.07; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 69.19 cm3; (14)Molar Volume: 212 cm3; (15)Surface Tension: 42.3 dyne/cm; (16)Density: 1.142 g/cm3; (17)Flash Point: 147.5 °C; (18)Enthalpy of Vaporization: 59.92 kJ/mol; (19)Boiling Point: 354.2 °C at 760 mmHg; (20)Vapour Pressure: 3.4E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC=CC=C1COC(=O)C2=CC=CC=C2
2. InChI: InChI=1S/C15H14O3/c1-17-14-10-6-5-9-13(14)11-18-15(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3
3. InChIKey: BZUHSQFJABFAHL-UHFFFAOYSA-N