Chemical Name - Iso Propyl Acetate
Mol Weight - 102.132
Smiles - CC(C)OC(C)=O
Mol Weight - 102.132
Smiles - CC(C)OC(C)=O
| Property Value | |
| Mol Name | Iso Propyl Acetate |
| Molweight | 102.132 |
| Monoisotopic Mass | 102.06808 |
| Clogp | 0.8944 |
| Clogs | -1.265 |
| H Acceptors | 2 |
| Total Surface Area | 90.53 |
| Relative Psa | 0.2545 |
| Polar Surface Area | 26.3 |
| Druglikeness | -4.6006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.26324 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)OC(C)=O |
| InChIKey | InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 |
| InChI | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
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