(7S)-9-methoxy-7H-furo[3,2-g]chromen-7-ol
PubChem CID: 162968947
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| Topological Polar Surface Area | 51.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7S)-9-methoxy-7H-furo[3,2-g]chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C12H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YXCORZFYRFZUOV-VIFPVBQESA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.292 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.963 |
| Compound Name | (7S)-9-methoxy-7H-furo[3,2-g]chromen-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6708396 |
| Inchi | InChI=1S/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6,9,13H,1H3/t9-/m0/s1 |
| Smiles | COC1=C2C(=CC3=C1O[C@@H](C=C3)O)C=CO2 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Transmorrisonensis (Plant) Rel Props:Source_db:cmaup_ingredients