Chemical Name - Pyranyl Acetate
Mol Weight - 140.138
Smiles - CC(OC1OC=CC=C1)=O
Mol Weight - 140.138
Smiles - CC(OC1OC=CC=C1)=O
| Property Value | |
| Mol Name | Pyranyl Acetate |
| Molweight | 140.138 |
| Monoisotopic Mass | 140.047345 |
| Clogp | 0.4792 |
| Clogs | -1.481 |
| H Acceptors | 3 |
| Total Surface Area | 115.51 |
| Relative Psa | 0.28604 |
| Polar Surface Area | 35.53 |
| Druglikeness | -1.7613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.7 |
| Molecular Flexibility | 0.42936 |
| Molecular Complexity | 0.6271 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 4 |
| Smiles | CC(OC1OC=CC=C1)=O |
| InChIKey | InChI=1S/C7H8O3/c1-6(8)10-7-4-2-3-5-9-7/h2-5,7H,1H3 |
| InChI | NBQIRSAKZRFIHL-UHFFFAOYSA-N |
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