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ID DateSeverityStatusFeedback
119961199616/04/2014 18:27:03NormalNewthe molecular diagram is totally incorrect. it looks like mtbe to me not etbe.
212412702124127011/03/2014 16:42:36NormalNewThis entry for cisplatin is the one that wikipedia links to. I guess the wiki could be updated?
2054906205490626/02/2014 17:54:20NormalNewJust tried to print the names and identifiers - have you not fixed this yet !!
703837038329/01/2014 14:08:47NormalNewRosiglitazone is a complex case. There are two enantiomers, the useful biological activity rests in one, and they rapidly epimerise in solution. However, my question is, do you think it valid to convert a racemic mixture to a single defined 3D structure? Maybe a warning message for users?
226692266904/01/2014 12:25:27NormalNewThe MSDS link to is no longer available at Oxford's site and should be removed. In fact any MSDS links in the ChemSpider DB from Oxford should be removed... Stuart Chalk
11975311975318/12/2013 05:31:52HighNewI'd like to download the bright line spectra of a certain kind of compounds, like 9,9'-spirobifluorene and its derivatives. I'd eagerly like to get the wavelength vs. intensity relationships of such compounds. I can calculate the CIE(x,y) data from these information on Japanese JIS standard. The text Data of x(wavelength) vs. y(intensity) or such MS-Excel style data are very matched.
3146314608/11/2013 06:19:16NormalNewThere's something wrong with the ACD/Labs log D values for estazolam - they're the same as log P, which can't be right (see for example, the values for related adinazolam).
2034203408/11/2013 06:15:53NormalNewThere's something wrong with the log D values for alprazolam - they're the same as log P, which can't be right (see for example, the values for related adinazolam).
151821518218/10/2013 13:33:11NormalNewReferences to the Oxford MSDS library should be changed as there are no longer MSDS available there.
7478747821/06/2013 12:12:57NormalNewThe melting point of Diethyl carbonate is frequently referred to in the literature as -43 degC. Recently, we conducted some DSC experiments which produced a melting point of around -754degC. The instrument was confirmed to be in calibration and we began a literature hunt. We found 2 papers by Michael S. Ding(ref.1 and 2), describing experimental procedures by DSC, in which he also found the melting point of diethyl carbonate as -74.3degC, confirming our result. One of the main references for the -43degC melting point of diethyl carbonate is in french and dates back to the 1930's (ref 3). Suppliers of Diethyl carbonate list the melting point at -43degC (lit), but in some literature where the melting point is analysed during the experimental it is reported as -74degC. How can we go about rectifying or highlighting this? References 1. M.S. Ding et al, J. Elec. Soc. 148 (2001) A299-A304. 2. M.S. Ding et al, J. Chem. Eng. Data 49 (2004) 276-282. 3. M.J. Timmermans, Hennaut-Roland M.: Travaux du bureau international d'etalons physico-chimiques IV Etude des constantes physiques de vingt composes organiques. J.Chim.Phys. 27 (1930) 401-442
173391061733910622/05/2013 18:30:52NormalNewWrong structure for LNFPII I suppose! Sequence of Tetraose backbone should be Hex-HexNac-Hex-Hex and not HexNAc-Hex-Hex-Hex!!
4433443327/02/2013 07:50:55NormalNewOne hydrogen is missing in the SMILES code of the five atoms ring of this molecule. The same observation has be made in the Bromocriptine, as already mentioned by email, and also in Etodolac
55386555386505/01/2013 05:49:32NormalNewyour j. het. chem. data source links are dated. I believe Wiley Online has them all now. Journal of Heterocyclic Chemistry 19950807_3A, 19971267_11A
11018511018526/12/2012 00:58:50NormalNewI think that the SMILES for Buckminsterfullerene is not correct. While it is true that all the carbon atoms are identical, it is incorrect to ascibe to them the conventional (benzene) aromatic type. There are two types of bond; those that are in the five membered rings, and the "nearly double" bonds that join the five membered rings. A better SMILES is that one that is listed in "Molecular Modelling; Computational Chemistry Demystfied", p.279, Bladon , Gorton and Hammond, RSC Publishing 2011.
650416504102/12/2012 16:43:53NormalNewwrong structure, should be sydnone-like
262853242628532423/11/2012 14:05:59NormalNewSMILES need fixing ? Cheers, Chris
7844561784456117/09/2012 12:28:55NormalNewMost of the data in this record belongs in CS 14691. Aldoxycarb geonmetry is unspecified, move data and deprecate this entry ?
404264042613/08/2012 23:34:33NormalNewYou should probably run a generic substructure search for benzene epoxide (benzooxirene) and correct the hits you get. They are pretty much all arene oxides, which are dihydroepoxides, not simple epoxides. ID 40426 came up at the top of the list. It has the correct name as the first entry (Benzo(c)phenanthrene 9,10-oxide) but the wrong version (9,10-epoxy) as the second synonym entry. The systematic name matches See ID 94727 (phenanthrene oxide) for the correct kind of structure. Regards, Bob Clark
6321632101/08/2012 09:48:18NormalNewShould the systematic name be butan-2-one as per applying IUPAC rules?
9616644961664418/07/2012 20:47:15NormalNewThe structure given here is incorrect. The correct structure is given in the Strem Chemicals catalogue.

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