29232-39-1 Purity
98%
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The PubChem CID for 3-Bromoacetylcoumarin is 2063461.
The molecular formula of 3-Bromoacetylcoumarin is C11H7BrO3.
The molecular weight of 3-Bromoacetylcoumarin is 267.07 g/mol.
The IUPAC name of 3-Bromoacetylcoumarin is 3-(2-bromoacetyl)chromen-2-one.
The InChIKey of 3-Bromoacetylcoumarin is NTYOLVNSXVYRTJ-UHFFFAOYSA-N.
The Canonical SMILES of 3-Bromoacetylcoumarin is C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CBr.
The CAS number of 3-Bromoacetylcoumarin is 29310-88-1.
The XLogP3-AA value of 3-Bromoacetylcoumarin is 2.6.
The hydrogen bond acceptor count of 3-Bromoacetylcoumarin is 3.
Yes, 3-Bromoacetylcoumarin is a canonicalized compound.