Xanoxic acid

Base Information

• Chemical Name: Xanoxic acid
• CAS No.: 33459-27-7
• Molecular Formula: C17H14 O5
• Molecular Weight: 298.29
• Hs Code.: 2932999099
• UNII: S6V5I726MH
• DSSTox Substance ID: DTXSID40187107
• Nikkaji Number: J20.213D
• Wikidata: Q27288748
• NCI Thesaurus Code: C81676
• ChEMBL ID: CHEMBL2104439
• Mol file: 33459-27-7.mol

Synonyms:Xanoxic acid;33459-27-7;Acide xanoxique;Xanoxic acid [INN];Xanoxinsaeure;Xanoxate;Acido xanoxico;Acidum xanoxicum;7-Isopropoxy-9-oxo-2-xanthencarbonsaeure;UNII-S6V5I726MH;S6V5I726MH;7-Isopropoxy-9-oxoxanthene-2-carboxylic acid;9-oxo-7-propan-2-yloxyxanthene-2-carboxylic acid;SCHEMBL2109668;CHEMBL2104439;9H-Xanthene-2-carboxylicacid, 7-(1-methylethoxy)-9-oxo-;DTXSID40187107;CS-AD-00612;7-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid;Xanthene-2-carboxylic acid, 7-isopropoxy-9-oxo-;Q27288748;9H-Xanthene-2-carboxylic acid, 7-(1-methylethoxy)-9-oxo-

Chemical Property of Xanoxic acid

Chemical Property:

• Vapor Pressure: 2.12E-11mmHg at 25°C
• Boiling Point: 514.2°Cat760mmHg
• PKA: 3.99±0.20(Predicted)
• Flash Point: 192.9°C
• PSA: 76.74000
• Density: 1.334g/cm³
• LogP: 3.43160
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 298.08412354
• Heavy Atom Count: 22
• Complexity: 446

Purity/Quality:

XANOXIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O
• Uses: Bronchodilator.