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Methyl 4-(1,3-dioxoisoindol-2-yl)oxy-2-methoxybutanoate (HCID 67065360)|Huagongshe
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Compound
Methyl 4-(1,3-dioxoisoindol-2-yl)oxy-2-methoxybutanoate
HCID
67065360
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(=O)C(CCON1C(=O)c2ccccc2C1=O)OC
InChIKey
HBZVILIJEJWYQC-UHFFFAOYSA-N
Molecular formula
C14H15NO6
Average molar mass
293.27 g/mol
Names & identifiers
Preferred name
Methyl 4-(1,3-dioxoisoindol-2-yl)oxy-2-methoxybutanoate
IUPAC
methyl 4-(1,3-dioxoisoindol-2-yl)oxy-2-methoxybutanoate
Names & synonyms
SCHEMBL1526657
Database identifiers
PubChem CID
67065360
Properties
Computed structural properties
XLogP
1.1
Topological polar surface area
82.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
400
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
293253
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
835061
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1549749
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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