(2S)-10-hydroxy-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
PubChem CID: 101244671
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| Topological Polar Surface Area | 65.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-10-hydroxy-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVCYTMYLWMIAER-LLVKDONJSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.251 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.904 |
| Compound Name | (2S)-10-hydroxy-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 260.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.331392684210526 |
| Inchi | InChI=1S/C14H12O5/c1-7(2)11-6-17-10-5-9-8(3-4-12(15)18-9)13(16)14(10)19-11/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1 |
| Smiles | CC(=C)[C@H]1COC2=C(O1)C(=C3C=CC(=O)OC3=C2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Abelmoschus (Plant) Rel Props:Source_db:cmaup_ingredients