3-(5,7-Dimethoxy-2-oxochromen-8-yl)-2,2-dimethylpropanoic acid
PubChem CID: 15609900
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| Compound Synonyms | CHEMBL3426661 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(5,7-dimethoxy-2-oxochromen-8-yl)-2,2-dimethylpropanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SAIWRXJZCXKHCP-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.38 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.514 |
| Compound Name | 3-(5,7-Dimethoxy-2-oxochromen-8-yl)-2,2-dimethylpropanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 306.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 306.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2810104363636365 |
| Inchi | InChI=1S/C16H18O6/c1-16(2,15(18)19)8-10-12(21-4)7-11(20-3)9-5-6-13(17)22-14(9)10/h5-7H,8H2,1-4H3,(H,18,19) |
| Smiles | CC(C)(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients