3-Methyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one

Base Information

• Chemical Name: 3-Methyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one
• CAS No.: 708-54-3
• Molecular Formula: C12H14O
• Molecular Weight: 174.24
• DSSTox Substance ID: DTXSID401215434
• Nikkaji Number: J2.035.179I

Synonyms:708-54-3;SCHEMBL10177012;DTXSID401215434;AKOS012025010;6,7,8,9-Tetrahydro-3-methyl-5H-benzocyclohepten-5-one;3-Methyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one

Chemical Property of 3-Methyl-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.90410
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

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Useful:

• Canonical SMILES: CC1=CC2=C(CCCCC2=O)C=C1

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