Methyl 3-(6-methoxy-1-benzofuran-5-yl)propanoate
PubChem CID: 162907477
Connections displayed (default: 10).
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| Topological Polar Surface Area | 48.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3-(6-methoxy-1-benzofuran-5-yl)propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C13H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AEFVITZAYCULNV-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -3.605 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.024 |
| Compound Name | Methyl 3-(6-methoxy-1-benzofuran-5-yl)propanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 234.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8535209058823523 |
| Inchi | InChI=1S/C13H14O4/c1-15-11-8-12-10(5-6-17-12)7-9(11)3-4-13(14)16-2/h5-8H,3-4H2,1-2H3 |
| Smiles | COC1=C(C=C2C=COC2=C1)CCC(=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients