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Revision as of 11:19, 20 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 473185713 of page URB602 for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit		Revision as of 11:30, 20 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 476798046 of page Usnic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').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
			\| Watchedfields = changed
	\| verifiedrevid = ~~438296871~~		\| verifiedrevid = 452888826
⚫	\|ImageFile=~~URB~~ ~~602~~.svg
			\| Name = Usnic acid
⚫	\|ImageSize=200px
		⚫	\| ImageFile = Usnic acid.svg
	\|IUPACName=Cyclohexyl -3-ylcarbamate
		⚫	<!-- \| ImageSize = 200px -->
	\|OtherNames=-3-yl-carbamic acid, cyclohexyl ester
			\| ImageName = Chemical structure of usnic acid
⚫	\|Section1= {{Chembox Identifiers
			\| IUPACName = 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bh)<br />-dibenzofurandione
⚫	\| ~~CASNo~~ = <!-- blanked - oldvalue: ~~565460-15-3~~ -->
			\| OtherNames = usneine, usninic acid, usniacin
		⚫	\| Section1 = {{Chembox Identifiers
	\| CASNo_Ref = {{cascite\|correct\|??}}		\| CASNo_Ref = {{cascite\|correct\|??}}
			\| CASNo = 125-46-2<ref name="AshAsh2004">{{cite book
	\| ChEMBL = 77767
			\|author1=Michael Ash
⚫	\| PubChem = ~~10979337~~
			\|author2=Irene Ash
			\|title=Handbook of preservatives
			\|url=http://books.google.com/books?id=XZ2QB7bu5LwC&pg=PA670
			\|accessdate=5 August 2010
			\|year=2004
			\|publisher=Synapse Info Resources
			\|isbn=9781890595661
			\|page=5856}}</ref>
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEMBL = <!-- blanked - oldvalue: 242022 -->
			\| SMILES = CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O
		⚫	\| PubChem = 5646
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~9154538~~		\| ChemSpiderID = 5444
			\| InChI = 1/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3
			\| InChIKey = CUCUKLJLRRAKFN-UHFFFAOYAS
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~HHVUFQYJOSFTEH~~-UHFFFAOYSA-N		\| StdInChIKey = CUCUKLJLRRAKFN-UHFFFAOYSA-N
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
	\| SMILES = O=C(OC1CCCCC1)Nc1cccc(c1)c1ccccc1
	}}
	\|Section2= {{Chembox Properties
	\| C=19\|H=21\|N=1\|O=2
	\| Appearance=Crystalline solid
	\| Density=
⚫	\| MeltingPt=
⚫	\| BoilingPt=
	\| Solubility=
	}}		}}
	\|~~Section3~~= {{Chembox ~~Hazards~~		\| Section2 = {{Chembox Properties
			\| Formula = C<sub>18</sub>H<sub>16</sub>O<sub>7</sub>
	\| MainHazards=
			\| MolarMass = 344.315 g/mol
	\| FlashPt=
	\| ~~Autoignition~~=		\| Density =
		⚫	\| MeltingPt = 204 °C
		⚫	\| BoilingPt =
	}}		}}
	}}		}}

Revision as of 11:30, 20 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 476798046 of page Usnic_acid with values updated to verified values.

Usnic acid
Names
Chemical structure of usnic acid
IUPAC names 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bh) -dibenzofurandione
Other names usneine, usninic acid, usniacin
Identifiers
CAS Number	125-46-2
3D model (JSmol)	Interactive image
ChemSpider	5444
PubChem CID	5646
InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3Key: CUCUKLJLRRAKFN-UHFFFAOYSA-N InChI=1/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3Key: CUCUKLJLRRAKFN-UHFFFAOYAS
SMILES CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O
Properties
Chemical formula	C₁₈H₁₆O₇
Molar mass	344.315 g/mol
Melting point	204 °C
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

Michael Ash; Irene Ash (2004). Handbook of preservatives. Synapse Info Resources. p. 5856. ISBN 9781890595661. Retrieved 5 August 2010.