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50765-21-4

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Basic Information
CAS No.: 50765-21-4
Name: 3-hydroxy-5-iodobenzoic acid
Molecular Structure:
Molecular Structure of 50765-21-4 (3-hydroxy-5-iodobenzoic acid)
Formula: C7H5IO3
Molecular Weight: 264.019
Synonyms: LogP
Density: 2.155 g/cm3
Boiling Point: 431.8 °C at 760 mmHg
Flash Point: 214.9 °C
PSA: 57.53000
LogP: 1.69500
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Specification

The 3-Hydroxy-5-iodobenzoic acid is an organic compound with the formula C7H5IO3. The systematic name of this chemical is 3-hydroxy-5-iodobenzoic acid. With the CAS registry number 50765-21-4, it is also named as Benzoic acid, 3-hydroxy-5-iodo-.

Physical properties about 3-Hydroxy-5-iodobenzoic acid are: (1)ACD/LogP: 3.13; (2)ACD/LogD (pH 5.5): 1.25; (3)ACD/LogD (pH 7.4): 0.06; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.02; (7)ACD/KOC (pH 7.4): 1.03; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 57.53 Å2; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 47.97 cm3; (14)Molar Volume: 122.4 cm3; (15)Polarizability: 19.01×10-24cm3; (16)Surface Tension: 74.6 dyne/cm; (17)Density: 2.155 g/cm3; (18)Flash Point: 214.9 °C; (19)Enthalpy of Vaporization: 72.47 kJ/mol; (20)Boiling Point: 431.8 °C at 760 mmHg; (21)Vapour Pressure: 3.19E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(O)c1)C(O)=O
(2)InChI: InChI=1/C7H5IO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
(3)InChIKey: TXKUCBMEOVINQX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H5IO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
(5)Std. InChIKey: TXKUCBMEOVINQX-UHFFFAOYSA-N