Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Hydroxy-3-iodocyclohepta-2,4,6-trien-1-one |
EINECS | N/A |
CAS No. | 22704-53-6 | Density | 2.06 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5IO2 | Boiling Point | 287 °C at 760mmHg |
Molecular Weight | 248.02 | Flash Point | 127.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Iodotropolone;NSC 98688;NSC 98912; |
Article Data | 5 |
The 2-Hydroxy-3-iodocyclohepta-2,4,6-trien-1-one is an organic compound with the molecular formula C7H5IO2. The CAS registry number of this chemical is 22704-53-6. It should be avoided direct sunshine. In addition, the price of this product changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.695; (7)Molar Refractivity: 46.26 cm3; (8)Molar Volume: 120.2 cm3; (9)Polarizability: 18.34×10-24 cm3; (10)Surface Tension: 59.5 dyne/cm; (11)Density: 2.06 g/cm3; (12)Flash Point: 127.4 °C; (13)Enthalpy of Vaporization: 61.05 kJ/mol; (14)Boiling Point: 287 °C at 760 mmHg; (15)Vapour Pressure: 0.000287 mmHg at 25°C; (16)Tautomer Count: 5; (17)Exact Mass: 247.933422; (18)MonoIsotopic Mass: 247.933422; (19)Topological Polar Surface Area: 37.3; (20)Heavy Atom Count: 10; (21)Complexity: 248.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C1/C=C\C=CC(\I)=C1\O;
2. InChI: InChI=1/C7H5IO2/c8-5-3-1-2-4-6(9)7(5)10/h1-4H,(H,9,10);
3. InChIKey: UWKAJCHYWMIXII-UHFFFAOYAS.