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Compound
CID 275522
HCID
275522
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)C(=O)C=C(C)OCC
InChIKey
JGZDFJZKXHTQDM-UHFFFAOYSA-N
Molecular formula
C9H14O4
Average molar mass
186.2 g/mol
Names & identifiers
Preferred name
CID 275522
IUPAC
ethyl 4-ethoxy-2-oxopent-3-enoate
Names & synonyms
SCHEMBL2593351
JGZDFJZKXHTQDM-UHFFFAOYSA-N
Database identifiers
PubChem CID
275522
Properties
Computed structural properties
XLogP
1.3
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
13
Formal charge
0
Complexity
218
Show all 8
Show all 8 / 8
Related reactions
15 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
42490
As product
uspto-grants-2013_09
HRID
42491
As reactant
uspto-grants-2013_09
HRID
62389
As product
uspto-grants-2016_09
HRID
62390
As reactant
uspto-grants-2016_09
HRID
516748
As product
uspto-grants-2015_08
HRID
516749
As reactant
uspto-grants-2015_08
HRID
593869
As product
uspto-grants-2016_01
HRID
593870
As reactant
uspto-grants-2016_01
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