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7476-18-8

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Basic Information
CAS No.: 7476-18-8
Name: 3,3-Diphenylpropionic Acid Ethyl Ester
Article Data: 26
Molecular Structure:
Molecular Structure of 7476-18-8 (3,3-Diphenylpropionic Acid Ethyl Ester)
Formula: C17H18O2
Molecular Weight: 254.329
Synonyms: Propionicacid, 3,3-diphenyl-, ethyl ester (8CI);Ethyl 3,3-diphenylpropionate;NSC401896;
EINECS: 1312995-182-4
Density: 1.063 g/cm3
Boiling Point: 355.6 °C at 760 mmHg
Flash Point: 133.1 °C
PSA: 26.30000
LogP: 3.77170
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Specification

The Benzenepropanoic acid, beta-phenyl-, ethyl ester, with the CAS registry number 7476-18-8, is also known as NSC401896. This chemical's molecular formula is C17H18O2 and molecular weight is 254.32362. Its IUPAC name is called ethyl 3,3-diphenylpropanoate.

Physical properties of Benzenepropanoic acid, beta-phenyl-, ethyl ester: (1)ACD/LogP: 4.29; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 6; (4)Index of Refraction: 1.547; (5)Molar Refractivity: 75.87 cm3; (6)Molar Volume: 239 cm3; (7)Surface Tension: 39.8 dyne/cm; (8)Density: 1.063 g/cm3; (9)Flash Point: 133.1 °C; (10)Enthalpy of Vaporization: 60.07 kJ/mol; (11)Boiling Point: 355.6 °C at 760 mmHg; (12)Vapour Pressure: 3.1E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C17H18O2/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
(3)InChIKey: XZXRDSROKCWSHE-UHFFFAOYSA-N