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4-Methyl-7-allyloxy-1-indanone (HCID 13604147)|Huagongshe
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Compound
4-Methyl-7-allyloxy-1-indanone
HCID
13604147
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
C=CCOc1ccc(C)c2c1C(=O)CC2
InChIKey
XSDPRUNNDJRTLX-UHFFFAOYSA-N
Molecular formula
C13H14O2
Average molar mass
202.25 g/mol
Names & identifiers
Preferred name
4-Methyl-7-allyloxy-1-indanone
IUPAC
4-methyl-7-prop-2-enoxy-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL10660835
4-methyl-7-allyloxy-1-indanone
XSDPRUNNDJRTLX-UHFFFAOYSA-N
Database identifiers
PubChem CID
13604147
Properties
Computed structural properties
XLogP
2.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
259
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
414679
As product
uspto-grants-1988_12
HRID
414680
As reactant
uspto-grants-1988_12
HRID
1114155
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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