  Compound Information CID 6691 Create Date: 2005-03-26 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 308.32794 [g/mol] | | Molecular Formula | | C19H16O4 | | XLogP3 | | 2.7 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 4 | | Rotatable Bond Count | | 4 | | | | | Exact Mass | | 308.104859 | | MonoIsotopic Mass | | 308.104859 | | Topological Polar Surface Area | | 63.6 | | Heavy Atom Count | | 23 | | Formal Charge | | 0 | | Complexity | | 502 | | 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 | | 3 | | Feature 3D Donor Count | | 1 | | Feature 3D Ring Count | | 3 | | Effective Rotor Count | | 4 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 40 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 4702, Version: 1, Same
SID 4702, Version: 2, Same
SID 4702, Version: 3, Same
SID 4702, Version: 4, Same
SID 4702, Version: 5, Same
SID 9785, Version: 1, Mixture
SID 9785, Version: 2, Mixture
SID 46360, Version: 1, Same
SID 107893, Version: 1, Same
SID 107893, Version: 2, Same
SID 149670, Version: 1, Same
SID 149670, Version: 2, Same
SID 149670, Version: 3, Same
SID 160624, Version: 1, Mixture
SID 160624, Version: 2, Mixture
SID 160624, Version: 3, Mixture
SID 161718, Version: 1, Mixture
SID 161718, Version: 2, Mixture
SID 161718, Version: 3, Mixture
SID 173019, Version: 1, Mixture
SID 173019, Version: 2, Mixture
SID 173019, Version: 3, Mixture
SID 173504, Version: 1, Mixture
SID 173504, Version: 2, Mixture
SID 173504, Version: 3, Mixture
SID 205113, Version: 1, Mixture
SID 205113, Version: 2, Mixture
SID 205113, Version: 3, Mixture
SID 378035, Version: 1, Same
SID 583099, Version: 1, Mixture
SID 601310, Version: 1, Same
SID 601310, Version: 2, Same
SID 601310, Version: 3, Same
SID 601310, Version: 4, Same
SID 668310, Version: 1, Same
SID 668310, Version: 2, Same
SID 751002, Version: 1, Mixture
SID 751002, Version: 2, Mixture
SID 775414, Version: 1, Mixture
SID 775414, Version: 2, Mixture
SID 775414, Version: 3, Mixture
SID 3288926, Version: 1, Mixture
SID 3288926, Version: 2, Mixture
SID 7847630, Version: 1, Mixture
SID 7847630, Version: 2, Mixture
SID 7847630, Version: 3, Mixture
SID 7847630, Version: 4, Mixture
SID 7847630, Version: 5, Mixture
SID 7847630, Version: 6, Mixture
SID 7848343, Version: 1, Mixture
SID 7848343, Version: 2, Mixture
SID 7848343, Version: 3, Mixture
SID 7848343, Version: 4, Mixture
SID 7848343, Version: 5, Mixture
SID 7848343, Version: 6, Mixture
SID 7854746, Version: 1, Same
SID 8154328, Version: 1, Same
SID 8154328, Version: 2, Same
SID 8154328, Version: 3, Same
SID 8154328, Version: 5, Same
SID 22395179, Version: 1, Mixture
SID 24438510, Version: 1, Same
SID 24439409, Version: 1, Mixture
SID 24439755, Version: 1, Mixture
SID 24539243, Version: 1, Mixture
SID 24721596, Version: 1, Mixture
SID 24721597, Version: 1, Mixture
SID 24721598, Version: 1, Mixture
SID 24869276, Version: 1, Same
SID 24890636, Version: 1, Same
SID 24890883, Version: 1, Mixture
SID 24899091, Version: 1, Same
SID 24899091, Version: 2, Same
SID 25625136, Version: 1, Mixture
SID 25625136, Version: 2, Mixture
SID 25627387, Version: 1, Same
SID 26754489, Version: 2, Same
SID 27525528, Version: 1, Same
SID 28755906, Version: 1, Mixture
SID 29207793, Version: 1, Same
SID 35228898, Version: 1, Same
SID 35234691, Version: 1, Same
SID 35237648, Version: 1, Same
SID 37451781, Version: 1, Mixture
SID 37911933, Version: 1, Same
SID 46504711, Version: 1, Same
SID 48416701, Version: 1, Same
SID 48416701, Version: 2, Same
SID 48421807, Version: 1, Same
SID 48503696, Version: 1, Same
SID 50566378, Version: 1, Mixture
SID 50991192, Version: 1, Mixture
SID 52356328, Version: 1, Mixture
SID 53788585, Version: 1, Same
SID 53788585, Version: 2, Same
SID 53788585, Version: 3, Same
SID 53788585, Version: 4, Same
SID 53801150, Version: 1, Same
SID 53801150, Version: 2, Same
SID 53801150, Version: 3, Same
SID 53801150, Version: 4, Same
SID 53801150, Version: 5, Same
SID 53801150, Version: 6, Same
SID 53801169, Version: 1, Mixture
SID 53801169, Version: 2, Mixture
SID 53801233, Version: 1, Mixture
SID 53801299, Version: 1, Mixture
SID 53801299, Version: 2, Mixture
SID 56207737, Version: 1, Mixture
SID 57288873, Version: 1, Same
SID 58001422, Version: 1, Same
SID 58001422, Version: 2, Same
SID 81093153, Version: 1, Same
SID 85307102, Version: 1, Same
SID 87560363, Version: 1, Mixture
SID 88830806, Version: 1, Same
SID 89173073, Version: 1, Mixture
SID 93623580, Version: 1, Mixture
SID 93898232, Version: 1, Same
SID 95259565, Version: 1, Mixture
SID 95277576, Version: 1, Mixture
SID 95277576, Version: 2, Mixture
SID 96025365, Version: 1, Same
SID 99301532, Version: 1, Same
SID 99508107, Version: 1, Same
SID 99864753, Version: 1, Mixture
SID 103770755, Version: 1, Mixture
SID 103770755, Version: 2, Mixture
SID 103770862, Version: 1, Mixture
SID 104253395, Version: 1, Mixture
SID 125311738, Version: 1, Mixture
SID 125312389, Version: 1, Same
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