methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate

Base Information

• Chemical Name: methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate
• CAS No.: 74821-55-9
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.252
• European Community (EC) Number: 970-276-3
• Nikkaji Number: J988.781D

Synonyms:methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate;74821-55-9;methyl 5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate;SCHEMBL2166539;JDXIXQIVFXMNGR-UHFFFAOYSA-N;AKOS018236451;EN300-126298;methyl5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate;methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene-6-carboxylate

Chemical Property of methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.094294304
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

98%+ ^*data from raw suppliers

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MSDS Files:

Useful:

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

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