2,2,5-trimethyl-3H-inden-1-one

Base Information

• Chemical Name: 2,2,5-trimethyl-3H-inden-1-one
• CAS No.: 124688-08-0
• Molecular Formula: C12H14O
• Molecular Weight: 174.24
• DSSTox Substance ID: DTXSID60561980
• Nikkaji Number: J3.039.818A
• Wikidata: Q82445939
• Mol file: 124688-08-0.mol

Synonyms:124688-08-0;2,2,5-trimethyl-3H-inden-1-one;2,3-DIHYDRO-2,2,5-TRIMETHYL-1H-INDEN-1-ONE;SCHEMBL12310527;DTXSID60561980;AKOS006308763;2,2,5-Trimethyl-2,3-dihydro-1H-inden-1-one

Chemical Property of 2,2,5-trimethyl-3H-inden-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.76000
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)C(C2)(C)C

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