ethyl 6,7,8,9-tetrahydro-5-oxo-5H-benzocycloheptene-6-carboxylate

Base Information

• Chemical Name: ethyl 6,7,8,9-tetrahydro-5-oxo-5H-benzocycloheptene-6-carboxylate
• CAS No.: 6742-27-4
• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.279
• DSSTox Substance ID: DTXSID701168288
• Nikkaji Number: J984.807J

Synonyms:ethyl 6,7,8,9-tetrahydro-5-oxo-5H-benzocycloheptene-6-carboxylate;SCHEMBL7714519;SRVAVQJNRPJQSO-UHFFFAOYSA-N;DTXSID701168288;AKOS011020403;5-Oxo-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carboxylic acid ethyl ester;6742-27-4

Chemical Property of ethyl 6,7,8,9-tetrahydro-5-oxo-5H-benzocycloheptene-6-carboxylate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 232.109944368
• Heavy Atom Count: 17
• Complexity: 298

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Useful:

• Canonical SMILES: CCOC(=O)C1CCCC2=CC=CC=C2C1=O

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