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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 05:31, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 437766225 of page Alpha-Ketoisocaproic_acid for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 05:31, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 437766225 of page Alpha-Ketoisocaproic_acid for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 437766225 of page Alpha-Ketoisocaproic_acid with values updated to verified values.

α-Ketoisocaproic acid
Names

IUPAC name 4-Methyl-2-oxopentanoic acid
Systematic IUPAC name 4-Methyl-2-oxopentanoic acid
Other names 4-Methyl-2-oxovaleric acid
Identifiers
CAS Number	816-66-0
3D model (JSmol)	Interactive image Interactive image
Beilstein Reference	1701823
ChEBI	CHEBI:48430
ChEMBL	ChEMBL445647
ChemSpider	69
DrugBank	DB03229
EC Number	212-435-5
KEGG	C00233
MeSH	Alpha-ketoisocaproic+acid
PubChem CID	70
UN number	3265
InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)Key: BKAJNAXTPSGJCU-UHFFFAOYSA-N InChI=1/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)Key: BKAJNAXTPSGJCU-UHFFFAOYAG
SMILES CC(C)CC(=O)C(O)=O O=C(C(=O)O)CC(C)C
Properties
Chemical formula	C₆H₁₀O₃
Molar mass	130.143 g·mol
Density	1.055 g cm (at 20 °C)
Boiling point	85 °C (185 °F; 358 K)
log P	0.133
Acidity (pK_a)	2.651
Basicity (pK_b)	11.346
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):

Chemical compound