Cas no 224641-82-1 (Benzaldehyde, 3-hydroxy-2,4,6-triiodo-)
224641-82-1 structure
Product Name:Benzaldehyde, 3-hydroxy-2,4,6-triiodo-
CAS No:224641-82-1
MF:C7H3I3O2
MW:499.810939073563
CID:253172
PubChem ID:237827
Update Time:2025-04-19
Benzaldehyde, 3-hydroxy-2,4,6-triiodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-hydroxy-2,4,6-triiodo-
- 3-hydroxy-2,4,6-triiodobenzaldehyde
- NSC 41710
- SCHEMBL22897419
- 224641-82-1
- DTXSID20285413
- NSC41710
- NSC-41710
-
- Inchi： 1S/C7H3I3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H
- InChI Key： PYEXBDXARWXOHC-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1C=O)I)I)O
Computed Properties
- Exact Mass: 499.72529
- Monoisotopic Mass: 499.7267g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzaldehyde, 3-hydroxy-2,4,6-triiodo- Related Literature
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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