Chemical Name - Homophthalic anhydride
Mol Weight - 162.144
Smiles - O=C(Cc1c2cccc1)OC2=O
Mol Weight - 162.144
Smiles - O=C(Cc1c2cccc1)OC2=O
| Property Value | |
| Mol Name | Homophthalic anhydride |
| Molweight | 162.144 |
| Monoisotopic Mass | 162.031695 |
| Clogp | 0.8731 |
| Clogs | -2.088 |
| H Acceptors | 3 |
| Total Surface Area | 119.02 |
| Relative Psa | 0.30314 |
| Polar Surface Area | 43.37 |
| Druglikeness | -16.562 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.16171 |
| Molecular Complexity | 0.74622 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Smiles | O=C(Cc1c2cccc1)OC2=O |
| InChIKey | InChI=1S/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2 |
| InChI | AKHSBAVQPIRVAG-UHFFFAOYSA-N |
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1 - Homophthalic anhydride
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1 - Homophthalic anhydride
2 - Homophthalic anhydride
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