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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:31, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 458667545 of page Safrole 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 13:31, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 458667545 of page Safrole 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 458667545 of page Safrole with values updated to verified values.
Safrole
Names
IUPAC name 5-(2-propenyl)-1,3-benzodioxole
Other names 5-allylbenzodioxole; 3,4-methylenedioxyphenyl-2-propene
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
KEGG
InChI
  • InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2Key: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
  • InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2Key: ZMQAAUBTXCXRIC-UHFFFAOYAD
SMILES
  • C=CCc1ccc2OCOc2c1
Properties
Chemical formula C10H10O2
Molar mass 162.19 g/mol
Density 1.096 g/cm
Melting point 11 °C (52 °F; 284 K)
Boiling point 232-234 °C
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
  1. Merck Index, 11th Edition, 8287