2-Isopropylidene-1-indanone

Base Information

• Chemical Name: 2-Isopropylidene-1-indanone
• CAS No.: 5706-00-3
• Molecular Formula: C12H12O
• Molecular Weight: 172.227
• DSSTox Substance ID: DTXSID80363781
• Nikkaji Number: J1.923.623D
• Wikidata: Q82147521
• ChEMBL ID: CHEMBL1342955

Synonyms:2-isopropylidene-1-indanone;5706-00-3;2-i-Propylidene-1-indanone;2-isopropylidene-indan-1-one;MLS000728026;SCHEMBL7611787;CHEMBL1342955;DTXSID80363781;HMS2702J23;2-(1-methylethylidene)indan-1-one;STK752160;AKOS001723009;SMR000306719;2-(propan-2-ylidene)-2,3-dihydro-1H-inden-1-one

Chemical Property of 2-Isopropylidene-1-indanone

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.088815002
• Heavy Atom Count: 13
• Complexity: 258

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C1CC2=CC=CC=C2C1=O)C

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