2,2a,7,7a-Tetrahydro-1H-cyclobuta[a]inden-1-one

Base Information

• Chemical Name: 2,2a,7,7a-Tetrahydro-1H-cyclobuta[a]inden-1-one
• CAS No.: 31996-70-0
• Molecular Formula: C11H10O
• Molecular Weight: 158.19600
• DSSTox Substance ID: DTXSID40505261
• Nikkaji Number: J1.156.382A
• Mol file: 31996-70-0.mol

Synonyms:31996-70-0;SCHEMBL1892794;DTXSID40505261;ACKUXWXJAAEYKB-UHFFFAOYSA-N;AKOS019999265;2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one;2,2a,7,7a-Tetrahydro-1H-cyclobuta[a]inden-1-one

Chemical Property of 2,2a,7,7a-Tetrahydro-1H-cyclobuta[a]inden-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 1.91530
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 158.073164938
• Heavy Atom Count: 12
• Complexity: 221

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(CC2=O)C3=CC=CC=C31

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