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Revision as of 17:53, 9 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456777155 of page Spiroxatrine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 17:53, 9 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 469308759 of page Squaric_acid for the Chem/Drugbox validation project (updated: '').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 | Watchedfields = changed
| verifiedrevid = 440310522
| UNII_Ref = {{fdacite|changed|FDA}}
|Reference=<ref name=sigma>. ]</ref>
| UNII = DR0QR50ALL
|ImageFileL1 = Squaric acid.svg
| verifiedrevid = 418121034
|ImageSizeL1 = 120px
|ImageFile=Spiroxatrine.svg
|ImageNameL1 = Structural formula (carbon atoms omitted)
|ImageSize=
|ImageFileR1 = Squaric-acid-3D-balls.png
|IUPACName=8-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspirodecan-4-one
|ImageSizeR1 = 110px
|OtherNames=
|ImageNameR1 = Ball-and-stick-model
|IUPACName = 3,4-Dihydroxycyclobut-3-ene-1,2-dione
|OtherNames = Quadratic acid
|Section1={{Chembox Identifiers |Section1={{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 5078 | ChemSpiderID = 16919
| InChI = 1/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
| InChI = 1/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
| InChIKey = JVGBTTIJPBFLTE-UHFFFAOYAW | InChIKey = PWEBUXCTKOWPCW-UHFFFAOYAC
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 300555
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
| StdInChI = 1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = JVGBTTIJPBFLTE-UHFFFAOYSA-N | StdInChIKey = PWEBUXCTKOWPCW-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|??}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = <!-- blanked - oldvalue: 1054-88-2 --> | CASNo=2892-51-5
| PubChem=5268 | PubChem=17913
| SMILES = c1(c(c(=O)c1=O)O)O
| IUPHAR_ligand = 53
}}
| SMILES = O=C2NCN(c1ccccc1)C23CCN(CC3)CC4Oc5ccccc5OC4
| MeSHName=Spiroxatrine
}}
|Section2={{Chembox Properties |Section2={{Chembox Properties
| Formula=C<sub>4</sub>H<sub>2</sub>O<sub>4</sub>
| C=22|H=25|N=3|O=3
| MolarMass=114.06 g/mol
| Appearance= | Appearance=Gray powder
| Density= | Density=
| MeltingPt= | MeltingPt= >300&nbsp;°C
| BoilingPt= | BoilingPt=
| Solubility= | Solubility=
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|Section3={{Chembox Hazards |Section3={{Chembox Hazards
| MainHazards= | MainHazards=
| FlashPt=190&nbsp;°C<ref name=alpha>. Alfa Aesar</ref>
| FlashPt=
| Autoignition= | Autoignition=
| RPhrases = {{R36/37/38}} {{R43}}
| SPhrases = {{S26}} {{S36}}
}} }}
}} }}

Revision as of 17:53, 9 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 469308759 of page Squaric_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Structural formula (carbon atoms omitted)
Structural formula (carbon atoms omitted)
Ball-and-stick-model
Ball-and-stick-model
Names
IUPAC name 3,4-Dihydroxycyclobut-3-ene-1,2-dione
Other names Quadratic acid
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6HKey: PWEBUXCTKOWPCW-UHFFFAOYSA-N
  • InChI=1/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6HKey: PWEBUXCTKOWPCW-UHFFFAOYAC
SMILES
  • c1(c(c(=O)c1=O)O)O
Properties
Chemical formula C4H2O4
Molar mass 114.06 g/mol
Appearance Gray powder
Melting point >300 °C
Hazards
Flash point 190 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. 3,4-Dihydroxy-3-cyclobutene-1,2-dione. Sigma-Aldrich
  2. 3,4-Dihydroxy-3-cyclobutene-1,2-dione, 98+%. Alfa Aesar