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4-(2-Thienyl)-1-indanyl acetate (HCID 13102459)|Huagongshe
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Compound
4-(2-Thienyl)-1-indanyl acetate
HCID
13102459
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(=O)OC1CCc2c(-c3cccs3)cccc21
InChIKey
NHZLIVYLKNBKPB-UHFFFAOYSA-N
Molecular formula
C15H14O2S
Average molar mass
258.3 g/mol
Names & identifiers
Preferred name
4-(2-Thienyl)-1-indanyl acetate
IUPAC
(4-thiophen-2-yl-2,3-dihydro-1H-inden-1-yl) acetate
Names & synonyms
SCHEMBL11078911
NHZLIVYLKNBKPB-UHFFFAOYSA-N
4-(2-thienyl)-1-indanyl acetate
Database identifiers
PubChem CID
13102459
Properties
Computed structural properties
XLogP
3.4
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
318
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Related reactions
8 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
113958
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
152503
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
325776
As product
uspto-grants-1984_04
HRID
325777
As reactant
uspto-grants-1984_04
HRID
647313
As product
uspto-grants-1983_10
HRID
647314
As reactant
uspto-grants-1983_10
HRID
1164205
As product
uspto-grants-1983_01
HRID
1164206
As reactant
uspto-grants-1983_01
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Compound notes
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