Compound Summary (CID 21334931) |
| | |
  Compound Information CID 21334931 Create Date: 2007-12-05 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 63.074002 [g/mol] | | Molecular Formula | | C2H6O2 | | XLogP3 | | -1.4 | | H-Bond Donor | | 2 | | H-Bond Acceptor | | 2 | | Rotatable Bond Count | | 1 | | | | | Exact Mass | | 63.043056 | | MonoIsotopic Mass | | 63.043056 | | Topological Polar Surface Area | | 40.5 | | Heavy Atom Count | | 4 | | Formal Charge | | 0 | | Complexity | | 8 | | Isotope Atom Count | | 1 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 1 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 2 | | Feature 3D Donor Count | | 2 | | Effective Rotor Count | | 1 | | Conformer Sampling RMSD | | 0.4 | | CID Conformer Count | | 2 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information |
