13170-76-8 Purity
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Specification
The molecular formula of Ethyl 4-bromoacetoacetate is C6H9BrO3.
The IUPAC name of Ethyl 4-bromoacetoacetate is ethyl 4-bromo-3-oxobutanoate.
The molecular weight of Ethyl 4-bromoacetoacetate is 209.04 g/mol.
The Canonical SMILES of Ethyl 4-bromoacetoacetate is CCOC(=O)CC(=O)CBr.
The InChIKey of Ethyl 4-bromoacetoacetate is MGDWUTQKXCZNAJ-UHFFFAOYSA-N.
The CAS number of Ethyl 4-bromoacetoacetate is 13176-46-0.
Ethyl 4-bromoacetoacetate has 3 hydrogen bond acceptor counts.
The topological polar surface area of Ethyl 4-bromoacetoacetate is 43.4 Å2.
Ethyl 4-bromoacetoacetate does not have any defined atom stereocenter count.
Yes, Ethyl 4-bromoacetoacetate is a canonicalized compound.