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3-Methylindan-1-one oxime (HCID 2818671)|Huagongshe
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Compound
3-Methylindan-1-one oxime
HCID
2818671
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC1CC(=NO)c2ccccc21
InChIKey
HEUZVEDRCJOTDS-UHFFFAOYSA-N
Molecular formula
C10H11NO
Average molar mass
161.2 g/mol
Names & identifiers
Preferred name
3-Methylindan-1-one oxime
IUPAC
N-(3-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
Names & synonyms
3-Methylindan-1-one oxime
SCHEMBL782668
HEUZVEDRCJOTDS-UHFFFAOYSA-N
Database identifiers
PubChem CID
2818671
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
200
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Related reactions
5 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
215102
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
447579
As product
uspto-grants-2013_07
HRID
1397518
As product
uspto-grants-2014_12
HRID
1677921
As product
uspto-grants-2011_08
HRID
1747572
As product
uspto-grants-2015_10
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Compound notes
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