(Z)-3-(7-methoxy-2-oxochromen-8-yl)-2-methylbut-2-enal
PubChem CID: 5319957
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 52.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 435.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-(7-methoxy-2-oxochromen-8-yl)-2-methylbut-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JSPFGMUFGCFXKI-KTKRTIGZSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.583 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.391 |
| Compound Name | (Z)-3-(7-methoxy-2-oxochromen-8-yl)-2-methylbut-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.313166284210526 |
| Inchi | InChI=1S/C15H14O4/c1-9(8-16)10(2)14-12(18-3)6-4-11-5-7-13(17)19-15(11)14/h4-8H,1-3H3/b10-9- |
| Smiles | C/C(=C(\C)/C1=C(C=CC2=C1OC(=O)C=C2)OC)/C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients