  Compound Information CID 6981 Create Date: 2005-06-24 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 176.12412 [g/mol] | | Molecular Formula | | C6H8O6 | | XLogP3 | | -1.8 | | H-Bond Donor | | 4 | | H-Bond Acceptor | | 6 | | Rotatable Bond Count | | 2 | | | | | Exact Mass | | 176.032088 | | MonoIsotopic Mass | | 176.032088 | | Topological Polar Surface Area | | 107 | | Heavy Atom Count | | 12 | | Formal Charge | | 0 | | Complexity | | 232 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 2 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 4 | | Feature 3D Donor Count | | 4 | | Feature 3D Ring Count | | 1 | | Effective Rotor Count | | 2.4 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 4 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 149995, Version: 1, Same
SID 149995, Version: 2, Same
SID 149995, Version: 3, Same
SID 589176, Version: 1, Same
SID 589176, Version: 2, Same
SID 679533, Version: 1, Mixture
SID 838922, Version: 1, Same
SID 838922, Version: 2, Same
SID 838922, Version: 3, Same
SID 838922, Version: 4, Same
SID 838922, Version: 5, Same
SID 7852062, Version: 1, Mixture
SID 11528324, Version: 1, Mixture
SID 24873047, Version: 1, Mixture
SID 24873047, Version: 2, Mixture
SID 24881081, Version: 1, Same
SID 24881081, Version: 2, Same
SID 24888398, Version: 1, Same
SID 24888398, Version: 2, Same
SID 24901050, Version: 1, Same
SID 24901050, Version: 2, Same
SID 26717460, Version: 1, Same
SID 26717460, Version: 2, Same
SID 26717460, Version: 3, Same
SID 26717460, Version: 4, Same
SID 26717460, Version: 5, Same
SID 26717460, Version: 6, Same
SID 26717460, Version: 7, Same
SID 48413725, Version: 1, Mixture
SID 48416934, Version: 1, Same
SID 48418019, Version: 1, Mixture
SID 48418045, Version: 1, Mixture
SID 48424093, Version: 1, Mixture
SID 48585464, Version: 1, Mixture
SID 48585464, Version: 3, Mixture
SID 48585555, Version: 1, Mixture
SID 48585555, Version: 3, Mixture
SID 50780288, Version: 1, Mixture
SID 50858666, Version: 1, Mixture
SID 51134336, Version: 1, Mixture
SID 56464262, Version: 1, Same
SID 87351848, Version: 1, Same
SID 87351848, Version: 2, Same
SID 87562129, Version: 1, Same
SID 87571606, Version: 1, Mixture
SID 91698200, Version: 1, Mixture
SID 91700270, Version: 1, Same
SID 92298301, Version: 1, Same
SID 92473486, Version: 1, Mixture
SID 92473564, Version: 1, Mixture
SID 104234265, Version: 1, Same
SID 104234265, Version: 2, Same
SID 117687784, Version: 1, Mixture
SID 125093282, Version: 1, Same
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