CAS
925459-49-0 Purity
96%
925459-49-0 Purity
96%
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Specification
The molecular formula is C15H14O4.
It was created on July 8, 2005.
The IUPAC name is computed by LexiChem 2.6.6.
The Canonical SMILES is COC1=CC=CC=C1CC(=O)C2=C(C=C(C=C2)O)O.
The InChIKey is MNDXXAUUVUMRBM-UHFFFAOYSA-N.
The XLogP3-AA value is 3.
It has 2 Hydrogen Bond Donors.
The Topological Polar Surface Area is 66.8 Ų.
It has 19 Heavy Atoms.
Yes, the compound is canonicalized.