2,6-Dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid
PubChem CID: 25157276
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL577462 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C12H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ASNYCVAGBSOWNP-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.985 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.265 |
| Compound Name | 2,6-Dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 204.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 204.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6780949999999994 |
| Inchi | InChI=1S/C12H12O3/c1-6-3-9-8(5-7(2)11(9)13)10(4-6)12(14)15/h3-4,7H,5H2,1-2H3,(H,14,15) |
| Smiles | CC1CC2=C(C1=O)C=C(C=C2C(=O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Argyratus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Croton Balsamifer (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Croton Bonplandianus (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Croton Cajucara (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Croton Campestris (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Croton Cascarilloides (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Croton Caudatus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Croton Celtidifolius (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Croton Cumingii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Croton Discolor (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Croton Draconoide (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Croton Geayi (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Croton Gratissimus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Croton Hutchinsonianus (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Croton Joufra (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Croton Laccifer (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Croton Laevigatus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Croton Lechleri (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Croton Macrostachys (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Croton Malabaricus (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Croton Megistocarpus (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Croton Montevidensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Croton Nepetaefolius (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Croton Nitens (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Croton Oblongifolius (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Croton Penduliflorus (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Croton Persimilis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Croton Poilanei (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Croton Polyandrum (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Croton Regelianus (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Croton Rhamnifolius (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Croton Roxburghii (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Croton Ruizianus (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Croton Steenkampianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Croton Sublyratus (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Croton Tonkinensis (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Croton Urghii (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Croton Urucurana (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Croton Zambesicus (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Croton Zehntneri (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Croton Zeylanicum (Plant) Rel Props:Reference: