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1-(4-Isopropoxyphenyl)-1H-indole-2,3-dione (HCID 21079383)|Huagongshe
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Compound
1-(4-Isopropoxyphenyl)-1H-indole-2,3-dione
HCID
21079383
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)Oc1ccc(N2C(=O)C(=O)c3ccccc32)cc1
InChIKey
MRKOABNRPBYALK-UHFFFAOYSA-N
Molecular formula
C17H15NO3
Average molar mass
281.3 g/mol
Names & identifiers
Preferred name
1-(4-Isopropoxyphenyl)-1H-indole-2,3-dione
IUPAC
1-(4-propan-2-yloxyphenyl)indole-2,3-dione
Names & synonyms
SCHEMBL5353595
MRKOABNRPBYALK-UHFFFAOYSA-N
1-(4-ISOPROPOXYPHENYL)-1H-INDOLE-2,3-DIONE
Database identifiers
PubChem CID
21079383
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
412
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
96011
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1374965
As product
uspto-grants-2007_01
Compound notes
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