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203187-56-8

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Basic Information
CAS No.: 203187-56-8
Name: ETHYL 3-HYDROXY-4-IODOBENZOATE
Article Data: 6
Molecular Structure:
Molecular Structure of 203187-56-8 (ETHYL 3-HYDROXY-4-IODOBENZOATE)
Formula: C9H9IO3
Molecular Weight: 292.073
Synonyms: 3-Hydroxy-4-iodobenzoicacid ethyl ester;Ethyl 3-hydroxy-4-iodobenzoate;Ethyl 4-iodo 3-hydroxy benzoate;
Density: 1.777 g/cm3
Melting Point: 119-120 °C
Boiling Point: 313.606 °C at 760 mmHg
Flash Point: 143.464 °C
PSA: 46.53000
LogP: 2.17350
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Specification

The Benzoic acid,3-hydroxy-4-iodo-, ethyl ester, with the CAS registry number 203187-56-8, is also known as 3-Hydroxy-4-iodobenzoicacid ethyl ester. This chemical's molecular formula is C9H9IO3 and molecular weight is 292.07. What's more, its systematic name is Ethyl 3-hydroxy-4-iodobenzoate.

Physical properties of Benzoic acid,3-hydroxy-4-iodo-, ethyl ester are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 421; (6)ACD/BCF (pH 7.4): 292; (7)ACD/KOC (pH 5.5): 2625; (8)ACD/KOC (pH 7.4): 1819; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 57.447 cm3; (15)Molar Volume: 164.336 cm3; (16)Polarizability: 22.774×10-24 cm3; (17)Surface Tension: 52.583 dyne/cm; (18)Density: 1.777 g/cm3; (19)Flash Point: 143.464 °C; (20)Enthalpy of Vaporization: 57.681 kJ/mol; (21)Boiling Point: 313.606 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1O)C(=O)OCC
(2)InChI: InChI=1S/C9H9IO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2H2,1H3
(3)InChIKey: WDPARRIZBQXPSL-UHFFFAOYSA-N