Chemical Name - 2-Furoic Acid Methyl Ester
Mol Weight - 126.111
Smiles - COC(c1ccco1)=O
Mol Weight - 126.111
Smiles - COC(c1ccco1)=O
| Property Value | |
| Mol Name | 2-Furoic Acid Methyl Ester |
| Molweight | 126.111 |
| Monoisotopic Mass | 126.031695 |
| Clogp | 0.7613 |
| Clogs | -1.439 |
| H Acceptors | 3 |
| Total Surface Area | 102.96 |
| Relative Psa | 0.36082 |
| Polar Surface Area | 39.44 |
| Druglikeness | -2.8035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.34311 |
| Molecular Complexity | 0.74893 |
| 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 | COC(c1ccco1)=O |
| InChIKey | InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 |
| InChI | HDJLSECJEQSPKW-UHFFFAOYSA-N |
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1 - 2-Furoic Acid Methyl Ester
2 - 2-Furoic Acid Methyl Ester
1 - 2-Furoic Acid Methyl Ester
2 - 2-Furoic Acid Methyl Ester
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