87-73-0 Purity
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Specification
The molecular formula is C11H12O.
It is also known as 1-(3-prop-1-en-2-ylphenyl)ethanone, m-isopropenylacetophenone, and SCHEMBL4105605.
The molecular weight is 160.21 g/mol.
The IUPAC name is 1-(3-prop-1-en-2-ylphenyl)ethanone.
The InChI is InChI=1S/C11H12O/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-7H,1H2,2-3H3.
The InChIKey is CDWRSUNYLNEVTA-UHFFFAOYSA-N.
The Canonical SMILES is CC(=C)C1=CC(=CC=C1)C(=O)C.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 17.1 Å2.
Yes, the compound is canonicalized.