Naematolon

Base Information

• Chemical Name: Naematolon
• CAS No.: 92121-62-5
• Molecular Formula: C17H22 O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID801110644
• Metabolomics Workbench ID: 137659
• ChEMBL ID: CHEMBL477125
• Mol file: 92121-62-5.mol

Synonyms:4-acetyloxy-8-hydroxy-2-methylene-6,10,10-trimethyl-bicyclo(7.2.0)undec-5-ene-3,7-dione;naematolon

Chemical Property of Naematolon

Chemical Property:

• Vapor Pressure: 2.1E-10mmHg at 25°C
• Boiling Point: 460.2°Cat760mmHg
• Flash Point: 164.3°C
• PSA: 80.67000
• Density: 1.19g/cm³
• LogP: 1.59560
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 306.14672380
• Heavy Atom Count: 22
• Complexity: 584

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(C(=O)C(=C)C2CC(C2C(C1=O)O)(C)C)OC(=O)C
• Isomeric SMILES: C/C/1=C\[C@H](C(=O)C(=C)[C@H]2CC([C@@H]2[C@H](C1=O)O)(C)C)OC(=O)C