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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:16, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 439885038 of page 4-Hydroxycoumarins 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 18:16, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 439885038 of page 4-Hydroxycoumarins 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 439885038 of page 4-Hydroxycoumarins with values updated to verified values.
4-Hydroxycoumarin
Chemical structure of
Names
IUPAC name 2-hydroxychromen-4-one
Other names 4-Coumarinol
Benzotetronic acid
4-hydroxycoumarin
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10HKey: VXIXUWQIVKSKSA-UHFFFAOYSA-N
  • InChI=1/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+Key: PTNLHDGQWUGONS-OWOJBTEDBL
SMILES
  • Oc1ccc(/C=C/CO)cc1
  • O/C2=C/C(=O)Oc1ccccc12
Properties
Chemical formula C9H6O3
Molar mass 162.14 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound