CID 3084154

Base Information

• Chemical Name: CID 3084154
• CAS No.: 13497-04-6
• Molecular Formula: C15H19NO3
• Molecular Weight: 261.3163
• DSSTox Substance ID: DTXSID90159172
• Nikkaji Number: J14.942J
• Wikidata: Q83027494
• Mol file: 13497-04-6.mol

Synonyms:cocculolidine

Chemical Property of CID 3084154

Chemical Property:

• Boiling Point: 484°Cat760mmHg
• Flash Point: 246.5°C
• PSA: 38.77000
• Density: 1.28g/cm³
• LogP: 1.36110
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 261.13649347
• Heavy Atom Count: 19
• Complexity: 508

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CC=C2CCN3C2(C1)C4=C(CC3)COC4=O
• Isomeric SMILES: CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC4=O