Dtxcid9028594

Base Information

• Chemical Name: Dtxcid9028594
• CAS No.: 9004-38-0
• Deprecated CAS: 37264-78-1,8063-81-8,9032-33-1
• Molecular Formula: C8H6O4.xC2H4O2.xUnspecified
• Molecular Weight: 2534.12
• Hs Code.: 3912.39
• DSSTox Substance ID: DTXSID2048668
• Wikidata: Q5058389
• ChEMBL ID: CHEMBL3189049
• Mol file: 9004-38-0.mol

Synonyms:DTXSID2048668;NCGC00188441-01;CHEMBL3189049;DTXCID9028594;Tox21_113034;CAS-9004-38-0

Chemical Property of Dtxcid9028594

Chemical Property:

• Appearance/Colour: white powder
• PSA: 266.41000
• LogP: -0.15260
• Solubility.: Practically insoluble in water, freely soluble in acetone, soluble in diethylene glycol, practically insoluble in ethanol (96 per cent) and in methylene chloride. It dissolves in dilute solutions of alkali hydroxides
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 16
• Exact Mass: 722.16942885
• Heavy Atom Count: 51
• Complexity: 1270

Purity/Quality:

99% ^*data from raw suppliers

Cellulose acetate phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2O)OC(=O)C3=CC=CC=C3C(=O)O)O)COC(=O)C)O)OC(=O)C4=CC=CC=C4C(=O)O)O
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)OC(=O)C3=CC=CC=C3C(=O)O)O)COC(=O)C)O)OC(=O)C4=CC=CC=C4C(=O)O)O
• Uses: Enteric coating in pharmaceutical products.