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

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 17:43, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 455339255 of page 3,4-Dihydroxyphenylacetaldehyde 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, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 461816922 of page 3,4-Dihydroxyphenylacetic_acid for the Chem/Drugbox validation project (updated: '').Next edit →
Line 1:		Line 1:
	{{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 = ~~444177457~~		\| verifiedrevid = 443653412
	\| ImageFile = Dihydroxyphenylacetaldehyde.png
	\| ImageFile_Ref = {{chemboximage\|correct\|??}}		\| ImageFile_Ref = {{chemboximage\|correct\|??}}
			\| ImageFile=3,4-Dihydroxyphenylacetic acid.svg
	\| ImageName = Kekulé, skeletal formula of 3,4-dihydroxyphenylacetaldehyde
			\|ImageSize=200px
	\| 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>
			\|IUPACName=2-(3,4-Dihydroxyphenyl)acetic acid
⚫	\| Section1 = {{Chembox Identifiers
			\|OtherNames=
	\| Abbreviations = DOPAL
		⚫	\|Section1={{Chembox Identifiers
	\| CASNo = <!-- blanked - oldvalue: 5707-55-1 -->
		⚫	\| InChI = 1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
⚫	\| PubChem = ~~119219~~
			\| InChIKey = CFFZDZCDUFSOFZ-UHFFFAOYAU
	\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ChemSpiderID = ~~106504~~
			\| ChEMBL = 1284
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| KEGG = C04043
		⚫	\| StdInChI = 1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
⚫	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| MeSHName = 3,4-dihydroxyphenylacetaldehyde
		⚫	\| StdInChIKey = CFFZDZCDUFSOFZ-UHFFFAOYSA-N
	\| ChEBI = 27978
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CASNo=102-32-9
			\| MeSHName=3,4-Dihydroxyphenylacetic+Acid
		⚫	\| PubChem=547
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 532
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~3DMet~~ = ~~B00668~~		\| ChEBI = 41941
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| SMILES = Oc1ccc(CC=O)cc1O
			\| DrugBank = DB01702
	\| SMILES1 = OC1=CC=C(CC=O)C=C1O
			\| SMILES = O=C(O)Cc1cc(O)c(O)cc1
⚫	\| 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}}
⚫	\| InChI = 1/~~C8H8O3~~/c9~~-4-3~~-6-1-2-7(10)8(11)~~5-6~~/h1-2,4-5,~~10-11H~~,~~3H2~~
⚫	\| StdInChIKey = ~~IADQVXRMSNIUEL~~-UHFFFAOYSA-N
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChIKey = IADQVXRMSNIUEL-UHFFFAOYAV
⚫	}}
⚫	\| Section2 = {{Chembox Properties
	\| C = 8
	\| H = 8
	\| O = 3
	\| ExactMass = 152.047344122 g mol<sup>-1</sup>
⚫	}}
⚫	\| Section3 = {{Chembox ~~Related~~
	\| Function = 2-phenyl aldehydes
	\| OtherFunctn = ]<br />
	]
	}}		}}
		⚫	\|Section2={{Chembox Properties
			\| C=8\|H=8\|O=4
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
		⚫	}}
		⚫	\|Section3={{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
		⚫	}}
	}}		}}

Revision as of 17:43, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 461816922 of page 3,4-Dihydroxyphenylacetic_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2-(3,4-Dihydroxyphenyl)acetic acid
Identifiers
CAS Number	102-32-9
3D model (JSmol)	Interactive image
ChEBI	CHEBI:41941
ChEMBL	ChEMBL1284
ChemSpider	532
DrugBank	DB01702
MeSH	3,4-Dihydroxyphenylacetic+Acid
PubChem CID	547
InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)Key: CFFZDZCDUFSOFZ-UHFFFAOYSA-N InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)Key: CFFZDZCDUFSOFZ-UHFFFAOYAU
SMILES O=C(O)Cc1cc(O)c(O)cc1
Properties
Chemical formula	C₈H₈O₄
Molar mass	168.148 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound