Chemical Name - Di Methyl Malonate
Mol Weight - 132.115
Smiles - COC(CC(OC)=O)=O
Mol Weight - 132.115
Smiles - COC(CC(OC)=O)=O
| Property Value | |
| Mol Name | Di Methyl Malonate |
| Molweight | 132.115 |
| Monoisotopic Mass | 132.04226 |
| Clogp | -0.2652 |
| Clogs | -0.46 |
| H Acceptors | 4 |
| Total Surface Area | 107.28 |
| Relative Psa | 0.42953 |
| Polar Surface Area | 52.6 |
| Druglikeness | -17.993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.74624 |
| Molecular Complexity | 0.57565 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 4 |
| Smiles | COC(CC(OC)=O)=O |
| InChIKey | InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3 |
| InChI | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
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1 - Di Methyl Malonate
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