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3'-Hydroxy-e,e-caroten-3-one

Base Information
  • Chemical Name:3'-Hydroxy-e,e-caroten-3-one
  • CAS No.:140460-59-9
  • Molecular Formula:C40H54O2
  • Molecular Weight:566.86
  • Hs Code.:
  • DSSTox Substance ID:DTXSID501308460
  • Metabolomics Workbench ID:37977
3'-Hydroxy-e,e-caroten-3-one

Synonyms:3'-hydroxy-epsilon,epsilon-caroten-3-one

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Chemical Property of 3'-Hydroxy-e,e-caroten-3-one
Chemical Property:
  • XLogP3:11
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:10
  • Exact Mass:566.412380961
  • Heavy Atom Count:42
  • Complexity:1300
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MSDS Files:
Useful:
  • Canonical SMILES:CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(=O)CC2(C)C)C)C)C)(C)C)O
  • Isomeric SMILES:CC1=CC(CC(C1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(=O)CC2(C)C)C)/C)/C)(C)C)O
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