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1-(4,6-Dimethyl-2-pyridinyl)ethanone oxime

HCID 136336351
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=NO)c1cc(C)cc(C)n1
InChIKey
PVJXCEWZXTURAF-UHFFFAOYSA-N
Molecular formula
C9H12N2O
Average molar mass
164.2 g/mol

Names & identifiers

Preferred name
1-(4,6-Dimethyl-2-pyridinyl)ethanone oxime
IUPAC
N-[1-(4,6-dimethyl-2-pyridinyl)ethylidene]hydroxylamine

Names & synonyms

SCHEMBL6550015PVJXCEWZXTURAF-UHFFFAOYSA-N1-(4,6-dimethyl-2-pyridinyl)ethanone oxime

Database identifiers

PubChem CID
136336351

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
179

Related reactions

6 records
New reaction record
HRID 205870 reaction equation
HRID 205870As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 281550 reaction equation
HRID 281550As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 697126 reaction equation
HRID 697126As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1357025 reaction equation
HRID 1357025As reactantuspto-grants-2003_07
HRID 1357026 reaction equation
HRID 1357026As reactantuspto-grants-2003_07
HRID 1357028 reaction equation
HRID 1357028As reactantuspto-grants-2003_07

Compound notes

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