Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-

Base Information

• Chemical Name: Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-
• CAS No.: 30468-06-5
• Molecular Formula: C20H12 O5
• Molecular Weight: 332.3063
• NSC Number: 119888
• DSSTox Substance ID: DTXSID30184544
• Wikidata: Q83055453
• ChEMBL ID: CHEMBL3727730
• Mol file: 30468-06-5.mol

Synonyms:30468-06-5;Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-;NSC119888;3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid;NSC 119888;starbld0026915;CHEMBL3727730;SCHEMBL13320830;DTXSID30184544;NSC-119888;3-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid

Chemical Property of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-

Chemical Property:

• Vapor Pressure: 2.63E-19mmHg at 25°C
• Boiling Point: 677.9°C at 760 mmHg
• Flash Point: 252.9°C
• Density: 1.53g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 332.06847348
• Heavy Atom Count: 25
• Complexity: 686

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

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