Azuleno[6,5-b]furan-5-carboxylic acid, 3,8-dimethyl-, methyl ester

Base Information

• Chemical Name: Azuleno[6,5-b]furan-5-carboxylic acid, 3,8-dimethyl-, methyl ester
• CAS No.: 835629-53-3
• Molecular Formula: C16H14O3
• Molecular Weight: 254.2806
• DSSTox Substance ID: DTXSID80349626
• Nikkaji Number: J2.159.120C
• Metabolomics Workbench ID: 139216
• ChEMBL ID: CHEMBL497241
• Mol file: 835629-53-3.mol

Synonyms:11-carbomethoxylinderazulene

Chemical Property of Azuleno[6,5-b]furan-5-carboxylic acid, 3,8-dimethyl-, methyl ester

Chemical Property:

• Vapor Pressure: 1.15E-06mmHg at 25°C
• Boiling Point: 401.8°Cat760mmHg
• Flash Point: 196.8°C
• Density: 1.205g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 354

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC(=C2C=C3C(=COC3=C1)C)C(=O)OC