7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]chromen-2-one
PubChem CID: 90689586
Connections displayed (default: 10).
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| Topological Polar Surface Area | 48.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OYJRDMKKJNJGCM-GFCCVEGCSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -5.443 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.579 |
| Compound Name | 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 246.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 246.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.894935511111111 |
| Inchi | InChI=1S/C14H14O4/c1-14(2)12(18-14)8-16-10-5-3-9-4-6-13(15)17-11(9)7-10/h3-7,12H,8H2,1-2H3/t12-/m1/s1 |
| Smiles | CC1([C@H](O1)COC2=CC3=C(C=C2)C=CC(=O)O3)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Dives (Plant) Rel Props:Source_db:cmaup_ingredients