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Basic Information
CAS No.: 6312-82-9
Name: 3-ETHOXY-4-HYDROXY-5-IODOBENZALDEHYDE
Article Data: 7
Molecular Structure:
Molecular Structure of 6312-82-9 (3-ETHOXY-4-HYDROXY-5-IODOBENZALDEHYDE)
Formula: C9H9IO3
Molecular Weight: 292.073
Synonyms: 3-Ethoxy-4-hydroxy-5-iodobenzaldehyde;5-Iodo-3-ethoxy-4-hydroxybenzaldehyde;NSC 40555;
Density: 1.801 g/cm3
Boiling Point: 318 °C at 760mmHg
Flash Point: 146.1 °C
PSA: 46.53000
LogP: 2.20800
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Specification

The Benzaldehyde,3-ethoxy-4-hydroxy-5-iodo- is an organic compound with the formula C9H9IO3. Its CAS registry number is 428847-37-4. The IUPAC name of this chemical is 3-Ethoxy-4-hydroxy-5-iodobenzaldehyde. In addition, the molecular weight is 292.07.

Physical properties about Benzaldehyde,3-ethoxy-4-hydroxy-5-iodo- are: (1)ACD/LogP: 2.87; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.649; (8)Molar Refractivity: 59.1 cm3; (9)Molar Volume: 162.1 cm3; (10)Polarizability: 23.43×10-24 cm3; (11)Surface Tension: 53.9 dyne/cm; (12)Density: 1.801 g/cm3; (13)Flash Point: 146.1 °C; (14)Enthalpy of Vaporization: 58.18 kJ/mol; (15)Boiling Point: 318 °C at 760 mmHg; (16)Vapour Pressure: 0.000199 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(cc(OCC)c1O)C=O
(2) InChI: InChI=1/C9H9IO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3
(3) InChIKey: WFAHCDLEWJKPJS-UHFFFAOYAW