Naphterpin

Base Information

• Chemical Name: Naphterpin
• CAS No.: 128505-88-4
• Molecular Formula: C21H22 O5
• Molecular Weight: 354.3964
• NSC Number: 640155
• DSSTox Substance ID: DTXSID30155916
• Nikkaji Number: J424.083I
• Wikidata: Q83023906
• Mol file: 128505-88-4.mol

Synonyms:naphterpin

Chemical Property of Naphterpin

Chemical Property:

• Vapor Pressure: 4.1E-13mmHg at 25°C
• Boiling Point: 559.2°Cat760mmHg
• Flash Point: 199.4°C
• PSA: 83.83000
• Density: 1.36g/cm³
• LogP: 3.82060
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 354.14672380
• Heavy Atom Count: 26
• Complexity: 731

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(CC1)C(OC3=C2C(=O)C4=CC(=C(C(=C4C3=O)O)C)O)(C)C
• Isomeric SMILES: CC1=C[C@@H]2[C@H](CC1)C(OC3=C2C(=O)C4=CC(=C(C(=C4C3=O)O)C)O)(C)C