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4192-77-2

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Basic Information
CAS No.: 4192-77-2
Name: ethyl-(E)-cinnamate,ethyl-trans-cinnamate
Article Data: 584
Molecular Structure:
Molecular Structure of 4192-77-2 (ethyl-(E)-cinnamate,ethyl-trans-cinnamate)
Formula: C11H12O2
Molecular Weight: 176.215
Synonyms: (E)-3-Phenyl-2-propenoic acid ethyl;(2E)-3-phenylprop-2-enoate;trans-Cinnamic acid ethyl;Ethyl (2E)-3-phenylacrylate;
Density: 1.056 g/cm3
Melting Point: 125℃
Boiling Point: 269.35 °C at 760 mmHg
Flash Point: 148.572 °C
Solubility: Insoluble in water
PSA: 26.30000
LogP: 2.26290
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Specification

The 2-Propenoic acid, 3-phenyl-, ethyl ester, (2E)-, with the CAS registry number 4192-77-2, is also known as (E)-3-Phenyl-2-propenoic acid ethyl. This chemical's molecular formula is C11H12O2 and molecular weight is 176.21. What's more, its systematic name is Ethyl (2E)-3-phenylprop-2-enoate.

Physical properties of 2-Propenoic acid, 3-phenyl-, ethyl ester, (2E)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.967; (4)ACD/LogD (pH 7.4): 2.967; (5)ACD/BCF (pH 5.5): 105.947; (6)ACD/BCF (pH 7.4): 105.947; (7)ACD/KOC (pH 5.5): 979.871; (8)ACD/KOC (pH 7.4): 979.871; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 53.183 cm3; (15)Molar Volume: 166.905 cm3; (16)Polarizability: 21.083×10-24 cm3; (17)Surface Tension: 38.051 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 148.572 °C; (20)Enthalpy of Vaporization: 50.747 kJ/mol; (21)Boiling Point: 269.35 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C=CC1=CC=CC=C1
(2)InChI: InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
(3)InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N