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Ethyl 2-(4-methylcyclohexyl)oxyimino-3-oxobutanoate (HCID 54523191)|Huagongshe
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Compound
Ethyl 2-(4-methylcyclohexyl)oxyimino-3-oxobutanoate
HCID
54523191
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Basic information
Standard SMILES
CCOC(=O)C(=NOC1CCC(C)CC1)C(C)=O
InChIKey
YRHJREYSKJIBLU-UHFFFAOYSA-N
Molecular formula
C13H21NO4
Average molar mass
255.31 g/mol
Names & identifiers
Preferred name
Ethyl 2-(4-methylcyclohexyl)oxyimino-3-oxobutanoate
IUPAC
ethyl 2-(4-methylcyclohexyl)oxyimino-3-oxobutanoate
Database identifiers
PubChem CID
54523191
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
65 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
330
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1 records
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As reactant
As product
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As solvent
HRID
682504
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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