1,2,9,9a-Tetrahydro-4h-benzo[e]cycloprop[c]indol-4-one

Base Information

• Chemical Name: 1,2,9,9a-Tetrahydro-4h-benzo[e]cycloprop[c]indol-4-one
• CAS No.: 122745-46-4
• Molecular Formula: C13H11NO
• Molecular Weight: 197.236
• ChEMBL ID: CHEMBL152491
• DSSTox Substance ID: DTXSID301211053
• Nikkaji Number: J893.463K
• Mol file: 122745-46-4.mol

Synonyms:1,2,9,9a-tetrahydro-4h-benzo[e]cycloprop[c]indol-4-one;122745-46-4;SCHEMBL542097;CHEMBL152491;DTXSID301211053

Chemical Property of 1,2,9,9a-Tetrahydro-4h-benzo[e]cycloprop[c]indol-4-one

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.084063974
• Heavy Atom Count: 15
• Complexity: 373

Purity/Quality:

1,2,9,9a-tetrahydro-4H-Benzo[e]cycloprop[c]indol-4-one 97.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1C2C13C4=CC=CC=C4C(=O)C=C3NC2

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