5,8-Dimethoxycoumarin
PubChem CID: 609839
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| Compound Synonyms | 5,8-Dimethoxycoumarin, 5,8-Dimethoxycumarin, 57585-52-1, 2H-1-Benzopyran-2-one, 5,8-dimethoxy-, DTXSID90346126, YITSCFOPPAUZLM-UHFFFAOYSA-N, 5,8-Dimethoxy-2H-chromen-2-one # |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YITSCFOPPAUZLM-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -3.457 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.844 |
| Compound Name | 5,8-Dimethoxycoumarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.580554733333333 |
| Inchi | InChI=1S/C11H10O4/c1-13-8-4-5-9(14-2)11-7(8)3-6-10(12)15-11/h3-6H,1-2H3 |
| Smiles | COC1=C2C=CC(=O)OC2=C(C=C1)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Decursiva (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Peucedanum Praeruptorum (Plant) Rel Props:Source_db:cmaup_ingredients