5,5-Dimethyl-1,3-cycloheptadiene-1-carboxylic acid

Base Information

• Chemical Name: 5,5-Dimethyl-1,3-cycloheptadiene-1-carboxylic acid
• CAS No.: 90925-53-4
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22
• DSSTox Substance ID: DTXSID401226495
• Nikkaji Number: J2.367.540D

Synonyms:5,5-Dimethyl-1,3-cycloheptadiene-1-carboxylic acid;DTXSID401226495;90925-53-4

Chemical Property of 5,5-Dimethyl-1,3-cycloheptadiene-1-carboxylic acid

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 247

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MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC(=CC=C1)C(=O)O)C

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