3-Ethenyl-6-methoxybenzene-1,2-diol
PubChem CID: 163102488
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethenyl-6-methoxybenzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRPXWQJAYIUHCI-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -1.888 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.413 |
| Compound Name | 3-Ethenyl-6-methoxybenzene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3430912 |
| Inchi | InChI=1S/C9H10O3/c1-3-6-4-5-7(12-2)9(11)8(6)10/h3-5,10-11H,1H2,2H3 |
| Smiles | COC1=C(C(=C(C=C1)C=C)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients