Mol Weight - 144.126
Smiles - OC(C1(CCC1)C(O)=O)=O
| Property Name | Property Value |
| Mol Name | Cyclobutane-1,1-dicarboxylic acid |
| Molweight | 144.126 |
| Monoisotopic Mass | 144.04226 |
| Clogp | -0.5838 |
| Clogs | -0.897 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 99.89 |
| Relative Psa | 0.52338 |
| Polar Surface Area | 74.6 |
| Druglikeness | -5.327 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.59925 |
| Molecular Complexity | 0.68024 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 4 |
| Acidic Oxygens | 2 |
| Smiles | OC(C1(CCC1)C(O)=O)=O |
| InChIKey | InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10) |
| InChI | CCQPAEQGAVNNIA-UHFFFAOYSA-N |
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1 — Cyclobutane-1,1-dicarboxylic acid | 2 — Cyclobutane-1,1-dicarboxylic acid