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5-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole

Compound number:
MolPort-001-788-009
CAS number: 120-58-1; 4043-71-4
IUPAC:
5-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole
IUPAC traditional:
isosafrole
SMILES:
C\C=C\c1ccc2OCOc2c1
InChI key:
VHVOLFRBFDOUSH-NSCUHMNNSA-N
Molecular formula: C10H10O2
Molecular weight: 162.188

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More Information

Compound Identifiers
Compound number: MolPort-001-788-009
CAS number: 120-58-1; 4043-71-4

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000389532
MFCD00005838
5-(prop-1-en-1-yl)benzo[d][1,3]dioxole
5-Propenyl-benzo,3dioxole
(E)-5-(prop-1-en-1-yl)benzo[d][1,3]dioxole
((E)-5-Propenyl)-benzo[1,3]dioxole
Isosafrol
Isosafrole

InChI
InChI: 1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChI key: VHVOLFRBFDOUSH-NSCUHMNNSA-N

Calculated Properties
Molecular formula: C10H10O2
Molecular weight: 162.188

Scaffolds

Other

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