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Crotonaldehyde, 2-methyl-

PubChem CID: 10336

Connections displayed (default: 10).
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Compound Synonyms 2-methylbut-2-enal, 2-METHYL-2-BUTENAL, 2-methyl-but-2-enal, Crotonaldehyde, 2-methyl-, (e)-2-methyl-2-butenal, trans-2-Methylcrotonaldehyde, DTXSID00859414, 100365-71-7, Butenal, 2-methyl- (9CI), SB85396, DB-051666
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 6.0
Isotope Atom Count 0.0
Molecular Complexity 72.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-methylbut-2-enal
Prediction Hob 1.0
Xlogp 0.9
Molecular Formula C5H8O
Prediction Swissadme 0.0
Inchi Key ACWQBUSCFPJUPN-UHFFFAOYSA-N
Fcsp3 0.4
Logs -0.423
Rotatable Bond Count 1.0
Logd 0.66
Compound Name Crotonaldehyde, 2-methyl-
Prediction Hob Swissadme 0.0
Exact Mass 84.0575
Formal Charge 0.0
Monoisotopic Mass 84.0575
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 84.12
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -0.8751315999999998
Inchi InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3
Smiles CC=C(C)C=O
Nring 0.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Buxus Microphylla (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Caragana Sinica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Coriaria Sinica (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Ephedra Altissima (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Ephedra Aphylla (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Ephedra Distachya (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Ephedra Equisetina (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Ephedra Gerardiana (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Ephedra Herba (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ephedra Intermedia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Ephedra Lepidosperma (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Ephedra Likiangensis (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Ephedra Lomatolepis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Ephedra Major (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Ephedra Minuta (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Ephedra Monosperma (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Ephedra Procera (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Ephedra Przewalskii (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Ephedra Regeliana (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Ephedra Saxatilis (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Radermachera Sinica (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Salvia Sinica (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Stephania Sinica (Plant) Rel Props:Reference:
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