Chemical Name - 3-methoxy-2-furaldehyde
Mol Weight - 126.111
Smiles - COc1c(C=O)occ1
Mol Weight - 126.111
Smiles - COc1c(C=O)occ1
| Property Value | |
| Mol Name | 3-methoxy-2-furaldehyde |
| Molweight | 126.111 |
| Monoisotopic Mass | 126.031695 |
| Clogp | 0.7116 |
| Clogs | -1.64 |
| H Acceptors | 3 |
| Total Surface Area | 104.75 |
| Relative Psa | 0.35465 |
| Polar Surface Area | 39.44 |
| Druglikeness | -3.6099 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.33454 |
| Molecular Complexity | 0.78387 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 2 |
| Smiles | COc1c(C=O)occ1 |
| InChIKey | InChI=1S/C6H6O3/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3 |
| InChI | NEFRUHCNVKRDIP-UHFFFAOYSA-N |
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