3-Bromo-2-oxopropionate-1-propyl ester

HCID 11513992
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Basic information

Standard SMILES
CCCOC(=O)C(=O)CBr
InChIKey
KVEZNWYEYNDLSN-UHFFFAOYSA-N
Molecular formula
C6H9BrO3
Average molar mass
209.04 g/mol

Overview

glycolysis inhibitor

Names & identifiers

Preferred name
3-Bromo-2-oxopropionate-1-propyl ester
IUPAC
propyl 3-bromo-2-oxopropanoate

Names & synonyms

3-bromo-2-oxopropionate-1-propyl ester3-BrOP cpdRefChem:9112003-bromo-2-oxopropionate-1-propyl esster3-BrOP629659-95-6propyl 3-bromo-2-oxopropanoatepropyl bromopyruvaten-propyl 3-bromopyruvateSCHEMBL274916KVEZNWYEYNDLSN-UHFFFAOYSA-NGLXC-21200
Show more names
DB-173236H52690F567616

Database identifiers

PubChem CID
11513992

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
10

Related reactions

12 records
New reaction record

Compound notes

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