CAS
902600-32-2 Purity
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902600-32-2 Purity
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4-Bromomethyl-5,5-dimethyl-2-oxo-2,5-dihydro-furan-3-carboxylic acid ethyl ester
CAS
90261-67-9
Catalog Number
ACM90261679
Category
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What is the molecular formula of the ethyl 4-(bromomethyl)-5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate compound?
The molecular formula is C10H13BrO4.
When was the compound created and modified in PubChem?
The compound was created on February 8, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 4-(bromomethyl)-5,5-dimethyl-2-oxofuran-3-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C10H13BrO4/c1-4-14-8(12)7-6(5-11)10(2,3)15-9(7)13/h4-5H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey is ZLRRMBMCNDBRAW-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES is CCOC(=O)C1=C(C(OC1=O)(C)C)CBr.
What is the molecular weight of the compound?
The molecular weight is 277.11 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.3.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
902600-40-2 Purity
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902600-40-2 Purity
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