Chemical Name - Malonic Acid
Mol Weight - 104.061
Smiles - OC(CC(O)=O)=O
Mol Weight - 104.061
Smiles - OC(CC(O)=O)=O
| Property Value | |
| Mol Name | Malonic Acid |
| Molweight | 104.061 |
| Monoisotopic Mass | 104.01096 |
| Clogp | -1.121 |
| Clogs | -0.204 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 75.46 |
| Relative Psa | 0.69282 |
| Polar Surface Area | 74.6 |
| Druglikeness | -3.7615 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.85662 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 3 |
| Acidic Oxygens | 2 |
| Smiles | OC(CC(O)=O)=O |
| InChIKey | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) |
| InChI | OFOBLEOULBTSOW-UHFFFAOYSA-N |
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1 - Malonic Acid
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