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Revision as of 09:48, 20 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 474177210 of page Sinistrin for the Chem/Drugbox validation project (updated: 'DrugBank', 'UNII', 'CASNo').← Previous edit Revision as of 09:48, 20 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 472266447 of page Skatole for the Chem/Drugbox validation project (updated: 'ChEBI').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 = 472264898
| ImageFile = Sinistrin.svg
| Name = Skatole
| ImageCaption = Example chemical structure of sinistrin
| ImageFileL1 = Skatole structure.svg
| OtherNames =
| ImageSizeL1 = 120px
Polyfructosan
| ImageFileR1= Skatole_3d_structure.png
* Polyfructosan-S
| ImageSizeR2 = 120px
* Inulin analogue
| ImageName = Skatole
* Inutest
| IUPACName = 3-methylindole
| OtherNames = 4-Methyl-2,3-benzopyrrole
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| UNII_Ref = {{fdacite|correct|FDA}}
| DrugBank = <!-- blanked - oldvalue: DB00638 -->
| UNII = 9W945B5H7R
| UNII = <!-- blanked - oldvalue: JOS53KRJ01 -->
| SMILES = C1=C2C(=CC=C1)C(=C2C)C
| PubChem =
| CASNo_Ref = {{cascite|correct|CAS}}
| ChEMBL =
| CASNo = <!-- blanked - oldvalue: 37311-25-4 --> | CASNo = 83-34-1
| ChemSpiderID = NA | RTECS =
| ChEBI = 9171
| ATC-Code = {{ATC|V04|CH01}}
| PubChem = 6736
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 6480
| SMILES = c1cccc2c1c(cn2)C
| InChI = 1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
| InChIKey = ZFRKQXVRDFCRJG-UHFFFAOYAZ
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = ZFRKQXVRDFCRJG-UHFFFAOYSA-N
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=9|H=9|N=1
| Formula = (C<sub>6</sub>H<sub>10</sub>O<sub>6</sub>)<sub>n</sub>
| Appearance = White crystalline solid
| MolarMass=
| Solubility= | Density =
| Solubility = Insoluble
good in water<ref name="Hoppe-Seyler"/>
| MeltingPtCL = 93
* not soluble in ]<ref name="Schmiedeberg">O. Schmiedeberg: '''' Hoppe-Seyler´s Zeitschrift für physiologische Chemie, Band 3 (1-2), 1879. {{doi|10.1515/bchm1.1879.3.1-2.112}}.</ref>
| MeltingPtCL = 95
| Density=
| BoilingPtC = 265
| MeltingPt=
| pKa =
| BoilingPt= <!-- 160–170&nbsp;°C<ref name="Hoppe-Seyler"/> This boiling point is dubious. Should it be the melting point? -->
| pKb =
| Viscosity =
}}
| Section3 = {{Chembox Structure
| MolShape =
| Coordination =
| CrystalStruct =
| Dipole =
}}
| Section7 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| RPhrases =
| SPhrases =
}}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| Function =
| OtherFunctn =
| OtherCpds =
}} }}
}} }}

Revision as of 09:48, 20 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 472266447 of page Skatole with values updated to verified values.
Skatole
Names
IUPAC name 3-methylindole
Other names 4-Methyl-2,3-benzopyrrole
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3Key: ZFRKQXVRDFCRJG-UHFFFAOYSA-N
  • InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3Key: ZFRKQXVRDFCRJG-UHFFFAOYAZ
SMILES
  • c1cccc2c1c(cn2)C
Properties
Chemical formula C9H9N
Molar mass 131.178 g·mol
Appearance White crystalline solid
Boiling point 265 °C (509 °F; 538 K)
Solubility in water Insoluble
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
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