8-(1,2-Dihydroxy-3-methylbut-3-enyl)chromen-2-one
PubChem CID: 5319844
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(1,2-dihydroxy-3-methylbut-3-enyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C14H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FIIAFNOOIKGYBV-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -2.44 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.393 |
| Compound Name | 8-(1,2-Dihydroxy-3-methylbut-3-enyl)chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5736355111111109 |
| Inchi | InChI=1S/C14H14O4/c1-8(2)12(16)13(17)10-5-3-4-9-6-7-11(15)18-14(9)10/h3-7,12-13,16-17H,1H2,2H3 |
| Smiles | CC(=C)C(C(C1=CC=CC2=C1OC(=O)C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hylotelephium Mingjinianum (Plant) Rel Props:Source_db:cmaup_ingredients