(11E)-11-Ethylidene-9,10-dihydro-2-methoxy-7-methyl-5,9-methanocycloocta[b]pyridine-5(6H)-carboxylic acid

Base Information

• Chemical Name: (11E)-11-Ethylidene-9,10-dihydro-2-methoxy-7-methyl-5,9-methanocycloocta[b]pyridine-5(6H)-carboxylic acid
• CAS No.: 120686-04-6
• Molecular Formula: C₁₇H₁₉NO₃
• Molecular Weight: 285.343
• DSSTox Substance ID: DTXSID401110692
• Mol file: 120686-04-6.mol

Synonyms:DTXSID401110692;(11E)-11-Ethylidene-9,10-dihydro-2-methoxy-7-methyl-5,9-methanocycloocta[b]pyridine-5(6H)-carboxylic acid;120686-04-6

Chemical Property of (11E)-11-Ethylidene-9,10-dihydro-2-methoxy-7-methyl-5,9-methanocycloocta[b]pyridine-5(6H)-carboxylic acid

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 285.13649347
• Heavy Atom Count: 21
• Complexity: 510

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C1C2CC3=C(C1(CC(=C2)C)C(=O)O)C=CC(=N3)OC
• Isomeric SMILES: C/C=C/1\C2CC3=C(C1(CC(=C2)C)C(=O)O)C=CC(=N3)OC