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696589-22-7

Basic Information
CAS No.: 696589-22-7
Name: 2-FLUORO-4-METHOXYCINNAMIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 696589-22-7 (2-FLUORO-4-METHOXYCINNAMIC ACID)
Formula: C10H9FO3
Molecular Weight: 196.178
Synonyms: (2E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoic acid;(2E)-3-(2-Fluoro-4-methoxyphenyl)acrylic acid;
Density: 1.28 g/cm3
Boiling Point: 325 °C at 760 mmHg
Flash Point: 150.3 °C
PSA: 46.53000
LogP: 1.93210
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Specification

The CAS register number of 2-Propenoic acid,3-(2-fluoro-4-methoxyphenyl)-, (2E)- is 696589-22-7. It also can be called as (2E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoic acid and the systematic name about this chemical is (E)-3-(2-fluoro-4-methoxy-phenyl)prop-2-enoic acid. The molecular formula about this chemical is C10H9FO3 and the molecular weight is 196.1751. It belongs to the following product categories which include Cinnamic acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds and so on.

Physical properties about 2-Propenoic acid,3-(2-fluoro-4-methoxyphenyl)-, (2E)- are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 0.82; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.53Å2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 50.37 cm3; (9)Molar Volume: 153.2 cm3; (10)Polarizability: 19.97x10-24cm3; (11)Surface Tension: 44.5 dyne/cm; (12)Flash Point: 150.3 °C; (13)Enthalpy of Vaporization: 59.86 kJ/mol; (14)Boiling Point: 325 °C at 760 mmHg; (15)Vapour Pressure: 9.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)F)C=CC(=O)O
(2)InChI: InChI=1/C10H9FO3/c1-14-8-4-2-7(9(11)6-8)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
(3)InChIKey: KDSPBZWHHBVYFN-HWKANZROBK
(4)Std. InChI: InChI=1S/C10H9FO3/c1-14-8-4-2-7(9(11)6-8)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
(5)Std. InChIKey: KDSPBZWHHBVYFN-HWKANZROSA-N