Chemical Name - Acrylic Acid
Mol Weight - 72.0628
Smiles - C=CC(O)=O
Mol Weight - 72.0628
Smiles - C=CC(O)=O
| Property Value | |
| Mol Name | Acrylic Acid |
| Molweight | 72.0628 |
| Monoisotopic Mass | 72.02113 |
| Clogp | -0.0302 |
| Clogs | -0.668 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 62.14 |
| Relative Psa | 0.42066 |
| Polar Surface Area | 37.3 |
| Druglikeness | -8.8242 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.51618 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 1 |
| Acidic Oxygens | 1 |
| Smiles | C=CC(O)=O |
| InChIKey | InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) |
| InChI | NIXOWILDQLNWCW-UHFFFAOYSA-N |
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1 - Acrylic Acid
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