(7Z,7aR)-5-hydroxy-7-prop-2-enylidene-2,7a-dihydrocyclopenta[b]pyran-6-one
PubChem CID: 163002661
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7Z,7aR)-5-hydroxy-7-prop-2-enylidene-2,7a-dihydrocyclopenta[b]pyran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C11H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCVQPAZRNPBPPA-ZPMKCOPCSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -3.02 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.473 |
| Compound Name | (7Z,7aR)-5-hydroxy-7-prop-2-enylidene-2,7a-dihydrocyclopenta[b]pyran-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 190.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.5832275999999998 |
| Inchi | InChI=1S/C11H10O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2-5,11,13H,1,6H2/b7-4+/t11-/m0/s1 |
| Smiles | C=C/C=C\1/[C@H]2C(=C(C1=O)O)C=CCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemone Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients