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1-Dideuterio-3-phenylprop-2-en-1-ol

PubChem CID: 10534709

Connections displayed (default: 10).
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Compound Synonyms 1-dideuterio-3-phenylprop-2-en-1-ol
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 10.0
Isotope Atom Count 2.0
Molecular Complexity 101.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (E)-1,1-dideuterio-3-phenylprop-2-en-1-ol
Prediction Hob 1.0
Xlogp 1.9
Molecular Formula C9H10O
Prediction Swissadme 0.0
Inchi Key OOCCDEMITAIZTP-LJSJBYNUSA-N
Fcsp3 0.1111111111111111
Logs -2.071
Rotatable Bond Count 2.0
Logd 1.35
Compound Name 1-Dideuterio-3-phenylprop-2-en-1-ol
Prediction Hob Swissadme 0.0
Exact Mass 136.086
Formal Charge 0.0
Monoisotopic Mass 136.086
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 136.19
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -2.2248792620471995
Inchi InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+/i8D2
Smiles [2H]C([2H])(/C=C/C1=CC=CC=C1)O
Nring 1.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Erythroxylum Coca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Myroxylon Pereirae (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Neopicrorhiza Scrophulariiflora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Plantago Major (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Scrophularia Nodosa (Plant) Rel Props:Source_db:cmaup_ingredients
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