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Compound
3-Acetylamino-4-methoxyphenylacetone
HCID
69733531
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1ccc(CC(C)=O)cc1NC(C)=O
InChIKey
PSWALQJMIOZORH-UHFFFAOYSA-N
Molecular formula
C12H15NO3
Average molar mass
221.25 g/mol
Names & identifiers
Preferred name
3-Acetylamino-4-methoxyphenylacetone
IUPAC
N-[2-methoxy-5-(2-oxopropyl)phenyl]acetamide
Names & synonyms
SCHEMBL6289649
PSWALQJMIOZORH-UHFFFAOYSA-N
3-Acetylamino-4-methoxyphenylacetone
Database identifiers
PubChem CID
69733531
Properties
Computed structural properties
XLogP
0.7
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
265
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
959366
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
2144478
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2179891
As product
uspto-grants-2005_05
HRID
2179892
As reactant
uspto-grants-2005_05
Compound notes
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