1,2,2a,3,4,5-Hexahydroacenaphthylen-1-one

Base Information

• Chemical Name: 1,2,2a,3,4,5-Hexahydroacenaphthylen-1-one
• CAS No.: 63328-18-7
• Molecular Formula: C12H12O
• Molecular Weight: 172.227
• DSSTox Substance ID: DTXSID701267260

Synonyms:1,2,2a,3,4,5-hexahydroacenaphthylen-1-one;63328-18-7;3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one;SCHEMBL3586036;VJGRLMALXXVDDV-UHFFFAOYSA-N;DTXSID701267260;AKOS013134759;2a,3,4,5-tetrahydro-acenaphthen-1-one;CS-0224936;2a,3,4,5-Tetrahydro-1(2H)-acenaphthylenone;2a,3,4,5-Tetrahydro-2H-acenaphthylen-1-one;EN300-121874;Z1157837458

Chemical Property of 1,2,2a,3,4,5-Hexahydroacenaphthylen-1-one

Chemical Property:

• Melting Point: 85-86 °C
• Boiling Point: 302.0±32.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.174±0.06 g/cm3(Predicted)
• LogP: 2.69290
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.088815002
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

1,2,2a,3,4,5-hexahydroacenaphthylen-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(=O)C3=CC=CC(=C23)C1

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