Compound Summary (CID 8335) |
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  Compound Information CID 8335 Create Date: 2005-03-27 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 298.29006 [g/mol] | | Molecular Formula | | C17H14O5 | | XLogP3 | | 1.8 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 4 | | | | | Exact Mass | | 298.084124 | | MonoIsotopic Mass | | 298.084124 | | Topological Polar Surface Area | | 76.7 | | Heavy Atom Count | | 22 | | Formal Charge | | 0 | | Complexity | | 495 | | Isotope Atom Count | | 0 | | 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 | | 4 | | Feature 3D Donor Count | | 1 | | Feature 3D Ring Count | | 3 | | Effective Rotor Count | | 4 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 131 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 18534, Version: 1, Same
SID 151476, Version: 1, Same
SID 151476, Version: 2, Same
SID 151476, Version: 3, Same
SID 198331, Version: 1, Mixture
SID 198331, Version: 2, Mixture
SID 198331, Version: 3, Mixture
SID 375878, Version: 1, Same
SID 24861135, Version: 1, Same
SID 50409054, Version: 1, Mixture
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