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

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Revision as of 15:53, 21 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 433406410 of page Isosafrole for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit		Revision as of 15:54, 21 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 457206932 of page Isosorbide for the Chem/Drugbox validation project (updated: 'ChEMBL', '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
			\| Verifiedfields = changed
⚫	\| verifiedrevid = ~~399901610~~
			\| Watchedfields = changed
	\| Name = Isosafrole
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| Reference =<ref>''Merck Index'', 11th Edition, '''5112'''.</ref>
			\| UNII = WXR179L51S
⚫	\| ImageFile = ~~isosafrole~~.~~png~~
		⚫	\| verifiedrevid = 407445189
	\| ImageSize = 200px
		⚫	\| ImageFile = Isosorbide.svg
	\| ImageFile1 =
	\| ~~ImageSize1~~ = ~~200px~~		\| ImageSize = 150px
	\| IUPACName = ~~(''E'')-5-(prop-1-enyl)benzodioxole~~		\| IUPACName =
			\| OtherNames = <small>D-</small>Isosorbide; 1,4:3,6-Dianhydro-<small>D</small>-sorbitol; 1,4-Dianhydrosorbitol
	\| OtherNames = 5-(1-propenyl)-1,3-benzodioxole;<br/>3,4-methylenedioxyphenyl-1-propene
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| InChI = 1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
		⚫	\| ChemSpiderID = 12077
	\| InChIKey = VHVOLFRBFDOUSH-NSCUHMNNBU
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| ChEMBL = <!-- blanked - oldvalue: 1200660 -->
			\| InChI = 1/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
			\| InChIKey = KLDXJTOLSGUMSJ-JGWLITMVBP
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C10H10O2~~/~~c1-2~~-3-~~8-4-5~~-9-~~10(~~6-8)12-7-~~11-9~~/h2-6H,~~7H2,1H3~~/b3-2+		\| StdInChI = 1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~VHVOLFRBFDOUSH~~-~~NSCUHMNNSA~~-N		\| StdInChIKey = KLDXJTOLSGUMSJ-JGWLITMVSA-N
			\| CASNo_Ref = {{cascite\|correct\|??}}
⚫	\| ~~CASNo~~ = <!-- blanked - oldvalue: ~~120-58-1~~ -->
			\| CASNo = <!-- blanked - oldvalue: 652-67-5 -->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChEMBL~~ = ~~487603~~		\| PubChem = 12597
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
⚫	\| ChemSpiderID=~~21106329~~
			\| KEGG = D00347
	\| CASOther = <br> (''trans'')<br> (''cis'')
	\| SMILES = C\C=C~~\c1ccc2OCOc2c1~~		\| SMILES = O12OC(O)2OC1
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| C=6\|H=10\|O=4
	\| Formula = C<sub>10</sub>H<sub>10</sub>O<sub>2</sub>
	\| ~~MolarMass~~ = ~~162.188~~ ~~g/mol~~		\| Appearance = Colorless solid
			\| Density =
	\| Density = 1.1206 g/cm<sup>3</sup>, ''trans''<br />1.1182 g/cm<sup>3</sup>, ''cis''
			\| MeltingPtCL = 60
	\| MeltingPt = 8.2 °C, ''trans''<br />-21.5 °C, ''cis''
			\| MeltingPtCH = 63
	\| BoilingPt = 253 °C, ''trans''<br />77-79 °C, ''cis'' @ 3.5 mmHg}}
			\| BoilingPt = decomp
			\| Solubility =
			}}
			\| Section3 = {{Chembox Hazards
			\| MainHazards =
			\| FlashPt =
			\| Autoignition =
			}}
	}}		}}

Revision as of 15:54, 21 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 457206932 of page Isosorbide with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Other names D-Isosorbide; 1,4:3,6-Dianhydro-D-sorbitol; 1,4-Dianhydrosorbitol
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	12077
KEGG	D00347
PubChem CID	12597
InChI InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1Key: KLDXJTOLSGUMSJ-JGWLITMVSA-N InChI=1/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1Key: KLDXJTOLSGUMSJ-JGWLITMVBP
SMILES O12OC(O)2OC1
Properties
Chemical formula	C₆H₁₀O₄
Molar mass	146.142 g·mol
Appearance	Colorless solid
Boiling point	decomp
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound