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Methyl isopropyl ketone m-nitrophenylhydrazone (HCID 76538345)|Huagongshe
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Compound
Methyl isopropyl ketone m-nitrophenylhydrazone
HCID
76538345
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
CC(=NNc1cccc([N+](=O)[O-])c1)C(C)C
InChIKey
ACSXKAWMBRUUFV-UHFFFAOYSA-N
Molecular formula
C11H15N3O2
Average molar mass
221.26 g/mol
Monoisotopic mass
221.11642673
Names & identifiers
Preferred name
Methyl isopropyl ketone m-nitrophenylhydrazone
IUPAC
N-(3-methylbutan-2-ylideneamino)-3-nitroaniline
Names & synonyms
SCHEMBL260597
methyl isopropyl ketone m-nitrophenylhydrazone
Database identifiers
PubChem CID
76538345
Properties
Computed structural properties
XLogP
3
Topological polar surface area
70.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
271
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Related reactions
1 records
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As product
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As solvent
HRID
297694
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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