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14510-36-2

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Basic Information
CAS No.: 14510-36-2
Name: a-((Acetyloxy)methyl)benzeneaceticacid
Article Data: 10
Molecular Structure:
Molecular Structure of 14510-36-2 (a-((Acetyloxy)methyl)benzeneaceticacid)
Formula: C11H12O4
Molecular Weight: 208.214
Synonyms: Tropicacid, acetate (8CI);2-Phenyl-b-acetoxypropanoic acid;Acetyltropic acid;
Density: 1.22 g/cm3
Melting Point: 84 - 85 °C
Boiling Point: 348.201 °C at 760 mmHg
Flash Point: 135.146 °C
PSA: 63.60000
LogP: 1.41790
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Specification

The CAS registry number of Benzeneacetic acid, a-[(acetyloxy)methyl]- is 14510-36-2. This chemical's molecular formula is C11H12O4 and molecular weight is 208.2106. Its systematic name is called 3-(acetyloxy)-2-phenylpropanoic acid. What's more, this chemical can be used as intermediate in the synthesis of tropine and respective derivatives.

Physical properties of Benzeneacetic acid, a-[(acetyloxy)methyl]-: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 7.4): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 53.043 cm3; (12)Molar Volume: 170.627 cm3; (13)Surface Tension: 47.7 dyne/cm; (14)Density: 1.22 g/cm3; (15)Flash Point: 135.146 °C; (16)Enthalpy of Vaporization: 62.534 kJ/mol; (17)Boiling Point: 348.201 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(COC(C)=O)c1ccccc1
(2)InChI: InChI=1/C11H12O4/c1-8(12)15-7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
(3)InChIKey: OXGQBORIYFGJPM-UHFFFAOYAB