Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 17:43, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444142387 of page 3,4-Dihydroxymandelic_acid for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 17:43, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 455339255 of page 3,4-Dihydroxyphenylacetaldehyde for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~chembox~~		{{Chembox
	\| verifiedrevid = ~~443317632~~		\| verifiedrevid = 444177457
			\| ImageFile = Dihydroxyphenylacetaldehyde.png
	\|ImageFile=3,4-Dihydroxymandelic acid.svg
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\|ImageSize=
			\| ImageName = Kekulé, skeletal formula of 3,4-dihydroxyphenylacetaldehyde
	\|IUPACName=2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
			\| SystematicName = 2-(3,4-Dihydroxyphenyl)acetaldehyde<ref>{{Cite web\|title = 3,4-dihydroxyphenylacetaldehyde - Compound Summary\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119219\|work = PubChem Compound\|publisher = National Center for Biotechnology Information\|accessdate = 13 October 2011\|location = USA\|date = 24 June 2005\|at = Identification and Related Records}}</ref>
	\|OtherNames=
	\|Section1={{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| Abbreviations = DOPAL
		⚫	\| CASNo = <!-- blanked - oldvalue: 5707-55-1 -->
		⚫	\| PubChem = 119219
			\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
			\| ChemSpiderID = 106504
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~77371~~		\| KEGG = C04043
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| MeSHName = 3,4-dihydroxyphenylacetaldehyde
	\| KEGG = C05580
			\| ChEBI = 27978
⚫	\| InChI = 1/~~C8H8O5~~/c9-5-2-1-~~4(3~~-6(5)10)7(11)~~8(12)13~~/h1-3,7,9-11H,~~(H,12,13)~~
	\| InChIKey = RGHMISIYKIHAJW-UHFFFAOYAB
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| StdInChI = 1S/~~C8H8O5~~/c9-5-2-1-~~4(3~~-6(5)10)7(11)~~8(12)13~~/h1-3,7,9-11H,~~(H,12,13)~~
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| StdInChIKey = ~~RGHMISIYKIHAJW~~-UHFFFAOYSA-N
⚫	\| CASNo = <!-- blanked - oldvalue: ~~775~~-01-9 -->
⚫	\| PubChem=~~85782~~
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEBI~~ = ~~27637~~		\| 3DMet = B00668
	\| SMILES = O=~~C(O)C(O)c1cc(O)c(~~O)~~cc1~~		\| SMILES = Oc1ccc(CC=O)cc1O
			\| SMILES1 = OC1=CC=C(CC=O)C=C1O
	\| MeSHName=3,4-dihydroxymandelic+acid
		⚫	\| StdInChI = 1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
⚫	}}
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\|Section2={{Chembox Properties
		⚫	\| InChI = 1/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
	\| Formula=C<sub>8</sub>H<sub>8</sub>O<sub>5</sub>
		⚫	\| StdInChIKey = IADQVXRMSNIUEL-UHFFFAOYSA-N
	\| MolarMass=184.14612
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| Appearance=
			\| InChIKey = IADQVXRMSNIUEL-UHFFFAOYAV
	\| Density=
		⚫	}}
	\| MeltingPt=
		⚫	\| Section2 = {{Chembox Properties
	\| BoilingPt=
	\| ~~Solubility~~=		\| C = 8
	}}		\| H = 8
			\| O = 3
⚫	\|Section3={{Chembox ~~Hazards~~
			\| ExactMass = 152.047344122 g mol<sup>-1</sup>
	\| MainHazards=
		⚫	}}
	\| FlashPt=
		⚫	\| Section3 = {{Chembox Related
	\| Autoignition=
			\| Function = 2-phenyl aldehydes
⚫	}}
			\| OtherFunctn = ]<br />
			]
			}}
	}}		}}

Revision as of 17:43, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 455339255 of page 3,4-Dihydroxyphenylacetaldehyde with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Systematic IUPAC name 2-(3,4-Dihydroxyphenyl)acetaldehyde
Identifiers
3D model (JSmol)	Interactive image Interactive image
Abbreviations	DOPAL
ChEBI	CHEBI:27978
ChemSpider	106504
KEGG	C04043
MeSH	3,4-dihydroxyphenylacetaldehyde
PubChem CID	119219
InChI InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2Key: IADQVXRMSNIUEL-UHFFFAOYSA-N InChI=1/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2Key: IADQVXRMSNIUEL-UHFFFAOYAV
SMILES Oc1ccc(CC=O)cc1O OC1=CC=C(CC=O)C=C1O
Properties
Chemical formula	C₈H₈O₃
Molar mass	152.149 g·mol
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound

"3,4-dihydroxyphenylacetaldehyde - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 24 June 2005. Identification and Related Records. Retrieved 13 October 2011.