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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:39, 18 February 2012 (Saving copy of the {{chembox}} taken from revid 448831333 of page Plicatin_B for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:39, 18 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 448831333 of page Plicatin_B for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 448831333 of page Plicatin_B with values updated to verified values.
Plicatin B
Chemical structure of plicatin B
Names
IUPAC name methyl (E)-3-prop-2-enoate
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C15H18O3/c1-11(2)4-7-13-10-12(5-8-14(13)16)6-9-15(17)18-3/h4-6,8-10,16H,7H2,1-3H3/b9-6+Key: LZEOAWXRNGQEHO-RMKNXTFCSA-N
  • InChI=1/C15H18O3/c1-11(2)4-7-13-10-12(5-8-14(13)16)6-9-15(17)18-3/h4-6,8-10,16H,7H2,1-3H3/b9-6+Key: LZEOAWXRNGQEHO-RMKNXTFCBP
SMILES
  • O=C(OC)\C=C\c1ccc(O)c(c1)C/C=C(\C)C
Properties
Chemical formula C15H18O3
Molar mass 246.30 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