Chemical Name - Phthalic Anhydride
Mol Weight - 148.117
Smiles - O=C(c1c2cccc1)OC2=O
Mol Weight - 148.117
Smiles - O=C(c1c2cccc1)OC2=O
| Property Value | |
| Mol Name | Phthalic Anhydride |
| Molweight | 148.117 |
| Monoisotopic Mass | 148.016045 |
| Clogp | 0.8842 |
| Clogs | -2.123 |
| H Acceptors | 3 |
| Total Surface Area | 105.26 |
| Relative Psa | 0.34277 |
| Polar Surface Area | 43.37 |
| Druglikeness | -15.465 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.54545 |
| Molecular Complexity | 0.72179 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 5 |
| Smiles | O=C(c1c2cccc1)OC2=O |
| InChIKey | InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H |
| InChI | LGRFSURHDFAFJT-UHFFFAOYSA-N |
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1 - Phthalic Anhydride
2 - Phthalic Anhydride
1 - Phthalic Anhydride
2 - Phthalic Anhydride
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