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Benzyl 3-pyridyl ketone oxime (HCID 72739677)|Huagongshe
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Compound
Benzyl 3-pyridyl ketone oxime
HCID
72739677
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
ON=C(Cc1ccccc1)c1cccnc1
InChIKey
QZMBZBPLGIXNBT-UHFFFAOYSA-N
Molecular formula
C13H12N2O
Average molar mass
212.25 g/mol
Monoisotopic mass
212.09496301
Names & identifiers
Preferred name
Benzyl 3-pyridyl ketone oxime
IUPAC
N-(2-phenyl-1-pyridin-3-ylethylidene)hydroxylamine
Names & synonyms
Benzyl 3-pyridyl ketone oxime
SCHEMBL10666387
QZMBZBPLGIXNBT-UHFFFAOYSA-N
Database identifiers
PubChem CID
72739677
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
234
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Related reactions
5 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
365109
As product
uspto-grants-1986_08
HRID
365110
As reactant
uspto-grants-1986_08
HRID
688481
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1462862
As product
uspto-grants-1984_07
HRID
1462863
As reactant
uspto-grants-1984_07
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Compound notes
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