Perforatic acid

Base Information

• Chemical Name: Perforatic acid
• CAS No.: 94736-67-1
• Molecular Formula: C16H14 O6
• Molecular Weight: 302.28
• DSSTox Substance ID: DTXSID70915334
• Nikkaji Number: J691.578G
• Wikidata: Q82886302
• Metabolomics Workbench ID: 127063
• ChEMBL ID: CHEMBL2164949
• Mol file: 94736-67-1.mol

Synonyms:5-methoxy-8,8-dimethyl-4-oxo-4H,8H-benzo(1,2-b:3,4-b)dipyran-2-carboxylic acid;perforatic acid

Chemical Property of Perforatic acid

Chemical Property:

• Vapor Pressure: 5.53E-11mmHg at 25°C
• Boiling Point: 504.1°C at 760 mmHg
• Flash Point: 189.7°C
• PSA: 85.97000
• Density: 1.368g/cm³
• LogP: 2.68400
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 302.07903816
• Heavy Atom Count: 22
• Complexity: 561

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C=C(O3)C(=O)O)C