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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 15:53, 21 November 2011 (Saving copy of the {{chembox}} taken from revid 433406410 of page Isosafrole 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 15:53, 21 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 433406410 of page Isosafrole 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 433406410 of page Isosafrole with values updated to verified values.

Isosafrole
Names

IUPAC name (E)-5-(prop-1-enyl)benzodioxole
Other names 5-(1-propenyl)-1,3-benzodioxole; 3,4-methylenedioxyphenyl-1-propene
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL487603
ChemSpider	21106329
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+Key: VHVOLFRBFDOUSH-NSCUHMNNSA-N InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+Key: VHVOLFRBFDOUSH-NSCUHMNNBU
SMILES C\C=C\c1ccc2OCOc2c1
Properties
Chemical formula	C₁₀H₁₀O₂
Molar mass	162.188 g/mol
Density	1.1206 g/cm, trans 1.1182 g/cm, cis
Melting point	8.2 °C, trans -21.5 °C, cis
Boiling point	253 °C, trans 77-79 °C, cis @ 3.5 mmHg
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