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

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Revision as of 18:56, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 477221059 of page Picric_acid for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 18:59, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 452836115 of page 3-Ureidopropionic_acid for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInCh...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 = ~~464206375~~		\| verifiedrevid = 443349676
			\|ImageFile=ureidopropionate.png
	\| ImageFile1_Ref = {{chemboximage\|correct\|??}}
			\|ImageSize=200px
	\| ImageFile1 = Pikrinsäure.svg
			\|IUPACName=3-Ureidopropanoic acid
	\| ImageSize1 = 150px
			\|OtherNames=
	\| ImageFileL2 = 246trinitrophenol-3D-ball.png
		⚫	\|Section1={{Chembox Identifiers
	\| ImageSizeL2 = 100px
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ImageFileR2 = 246trinitrophenol-3D-vdW.png
	\| ~~ImageSizeR2~~ = ~~100px~~		\| ChemSpiderID = 21886
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| IUPACName = 2,4,6-Trinitrophenol
			\| KEGG = C02642
	\| OtherNames = Carbazotic Acid; phenol trinitrate; picronitric acid; trinitrophenol; 2,4,6-trinitro-1-phenol; 2-hydroxy-1,3,5-trinitrobenzene; TNP; Melinite
			\| InChI = 1/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
⚫	\| Section1 = {{Chembox Identifiers
			\| InChIKey = JSJWCHRYRHKBBW-UHFFFAOYAH
	\| Abbreviations =
			\| SMILES1 = O=C(O)CCNC(=O)N
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 6688
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = A49OS0F91S
	\| InChI = 1/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
	\| InChIKey = OXNIZHLAWKMVMX-UHFFFAOYAM
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~108541~~		\| ChEMBL = <!-- blanked - oldvalue: 20962 -->
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C6H3N3O7~~/~~c10~~-6-4(8~~(13)14~~)1-~~3(7(11)12)~~2-~~5(6)~~9~~(15)16~~/h1-2,~~10H~~		\| StdInChI = 1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~OXNIZHLAWKMVMX~~-UHFFFAOYSA-N		\| StdInChIKey = RCNOGGGBSSVMAS-UHFFFAOYSA-N
			\| CASNo = <!-- blanked - oldvalue: 462-88-4 -->
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|~~CAS~~}}
		⚫	\| PubChem=111
	\| CASNo = 88-89-1
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| EINECS =
			\| ChEBI = <!-- blanked - oldvalue: 18261 -->
⚫	\| PubChem = ~~6954~~
			\| SMILES=C(CNC(=O)N)C(=O)O
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| MeSHName=N-carbamoyl-beta-alanine
	\| DrugBank = DB03651
			}}
	\| SMILES = O=()c1cc(cc(()=O)c1O)()=O
		⚫	\|Section2={{Chembox Properties
	\| InChI =
		⚫	\| Formula=C<sub>4</sub>H<sub>8</sub>N<sub>2</sub>O<sub>3</sub>
	\| RTECS =TJ7875000
			\| MolarMass=132.12 g/mol
	\| MeSHName =
			\| Appearance=
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| Density=
	\| ChEBI = 46149
		⚫	\| MeltingPt=
⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ~~KEGG~~ =		\| BoilingPt=
			\| Solubility=
	\| ATCCode_prefix =
			}}
	\| ATCCode_suffix =
		⚫	\|Section3={{Chembox Hazards
	\| ATC_Supplemental =}}
		⚫	\| MainHazards=
⚫	\| Section2 = {{Chembox Properties
		⚫	\| FlashPt=
⚫	\| Formula = C<sub>6</sub>H<sub>3</sub>N<sub>3</sub>O<sub>7</sub>
		⚫	\| Autoignition=
	\| MolarMass = 229.10 g·mol<sup>−1</sup>
			}}
	\| Appearance =Colorless to yellow solid
	\| Density = 1.763 g·cm<sup>−3</sup>, solid
⚫	\| MeltingPt = ~~122.5 °C~~
	\| Melting_notes =
	\| BoilingPt = > 300 °C
	\| Boiling_notes = Explodes
	\| Solubility = 14.0 g·L<sup>−1</sup>
	\| SolubleOther =
	\| Solvent =
	\| pKa = 0.38
	\| pKb = }}
⚫	\| ~~Section7~~ = {{Chembox Hazards
	\| EUClass = Explosive (E), Toxic (T)
	\| EUIndex =
⚫	\| MainHazards =
	\| NFPA-H = 3
	\| NFPA-F = 3
	\| NFPA-R = 4
	\| NFPA-O =
	\| RPhrases = {{R1}} {{R4}} {{R11}} {{R23}} {{R24}} {{R25}}
	\| SPhrases = {{S28}} {{S35}} {{S37}} {{S45}}
	\| RSPhrases =
⚫	\| FlashPt =
⚫	\| Autoignition =
	\| ExploLimits =
	\| PEL = }}
	\| Section8 = {{Chembox Explosive
	\| ShockSens =
	\| FrictionSens =
	\| ExplosiveV = 7,350 m·s<sup>−1</sup> at ρ 1.70
	\| REFactor = }}
	}}		}}

Revision as of 18:59, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 452836115 of page 3-Ureidopropionic_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 3-Ureidopropanoic acid
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChemSpider	21886
KEGG	C02642
MeSH	N-carbamoyl-beta-alanine
PubChem CID	111
InChI InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)Key: RCNOGGGBSSVMAS-UHFFFAOYSA-N InChI=1/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)Key: JSJWCHRYRHKBBW-UHFFFAOYAH
SMILES C(CNC(=O)N)C(=O)O O=C(O)CCNC(=O)N
Properties
Chemical formula	C₄H₈N₂O₃
Molar mass	132.12 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